Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL95377 | 0.85 | TSHR (0.60) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| SCHEMBL68365 | 0.85 | TSHR (0.60) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| SCHEMBL7088682 | 0.85 | TSHR (0.64) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| SCHEMBL31238970 | 0.84 | TSHR (0.58) | TSHRCYP3A4ALDH1A1GPR35KAT2B | |
| SCHEMBL95376 | 0.83 | TSHR (0.62) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| Ammonia Solution, Strong SCHEMBL27701389 | 0.82 | TSHR (0.56) | TSHRCYP3A4ALDH1A1GPR35KAT2B | |
| SCHEMBL13970849 | 0.81 | TSHR (0.60) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| SCHEMBL12090352 | 0.81 | TSHR (0.60) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| SCHEMBL12737470 | 0.81 | TSHR (0.60) | TSHRCYP3A4ALDH1A1S1PR4GPR35 | |
| SCHEMBL31239052 | 0.81 | TSHR (0.60) | TSHRCYP3A4ALDH1A1S1PR4GPR35 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024665-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYL-METHANE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS A SYNTHESIS COMPONENT TO PRODUCE POLYURETHANE PLASTICS ACCORDING TO THE ISOCYANATE-POLYADDITION PROCESS | BAYER AG (DE) | 1982-05-05 | — | — | EP | claimed |
| EP-0024665-A1 | Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process | BAYER AG (DE) | 1981-03-11 | — | — | EP | claimed |
| CN-115066428-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-09-16 | — | — | CN | disclosed |
| WO-2021143924-A1 | BORIC ACID DERIVATIVE | 首药控股(北京)股份有限公司 | 2021-07-22 | — | — | WO | disclosed |
| WO-2021143924-A1 | BORIC ACID DERIVATIVE | 首药控股(北京)股份有限公司 | 2021-07-22 | — | — | WO | disclosed |
| US-20160362730-A1 | PHOTO-SELECTIVE METHOD FOR BIOLOGICAL SAMPLE ANALYSIS | VENTANA MEDICAL SYSTEMS, INC. | 2016-12-15 | — | — | US | disclosed |
| WO-2015128272-A2 | PHOTO-SELECTIVE METHOD FOR BIOLOGICAL SAMPLE ANALYSIS FIELD | VENTANA MEDICAL SYSTEMS, INC. (US) | 2015-09-03 | — | — | WO | disclosed |
| EP-1444210-B1 | QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2009-02-18 | — | — | EP | disclosed |
| CN-100343238-C | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | disclosed |
| US-20070082921-A1 | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB | 2007-04-12 | — | — | US | disclosed |
| CN-1585754-A | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2005-02-23 | — | — | CN | disclosed |
| US-5872129-A | REACTING AROMATIC ALPHA-METHYL HALIDES WITH N-ALKYL OR N-ARYLDIETHANOLAMINES TO GIVE QUATERNARY DIOLS AND CONVERTING DIOLS TO HALOGEN OR SULFONATE DERIVATIVES BY TREATING WITH SULFONYL CHLORIDE; ANTITUMOR BLOOD FLOW AGENT | AUCKLAND UNISERVICES LIMITED (NZ) | 1999-02-16 | — | — | US | disclosed |
| EP-0700376-A4 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LTD (NZ) | 1996-05-22 | — | — | EP | disclosed |
| EP-0700376-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027954-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1994-12-08 | — | — | WO | disclosed |
| US-4781750-A | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1988-11-01 | — | — | US | disclosed |
| US-4761498-A | Diisocyanates and diisocyanate mixtures based on diphenylmethane, processes for their production and their use as isocyanate component in the production of polyurethane plastics by the isocyanate polyaddition process | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |
| EP-0024665-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYL-METHANE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS A SYNTHESIS COMPONENT TO PRODUCE POLYURETHANE PLASTICS ACCORDING TO THE ISOCYANATE-POLYADDITION PROCESS | BAYER AG (DE) | 1982-05-05 | — | — | EP | disclosed |
| EP-0024665-A1 | Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process | BAYER AG (DE) | 1981-03-11 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070082921-A1 | Quinazoline derivatives as antitumor agents | ERBB2, EGFR, ERBB4 | TSHR 383/4885CYP3A4 1781/4885ALDH1A1 4094/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.