Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14188957 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8437108 | 0.87 | ALDH1A1 (0.51) | ALDH1A1TSHRMAPK1SMN1; SMN2NPC1 | |
| SCHEMBL5219494 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL3823448 | 0.86 | ALDH1A1 (0.54) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2946382 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28712089 | 0.85 | ALDH1A1 (0.53) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14188965 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL430628 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL257715 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL177095 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869041-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2007-12-26 | — | — | EP | disclosed |
| US-20060234997-A1 | Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia | WARNER-LAMBERT COMPANY LLC | 2006-10-19 | — | — | US | disclosed |
| WO-2006103559-A1 | TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2006-10-05 | — | — | WO | 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 |
| US-5691371-A | ANTITUMOR AND -CARCINOGENIC AGENTS; PRODRUGS BIOREDUCED TO RELEASE A CYTOTOXIN, A MECHLORETHAMINE DERIVATIVE; WATER SOLUBLE | AUCKLAND UNISERVICES LIMITED (NZ) | 1997-11-25 | — | — | 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 |
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-20060234997-A1 | Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia | PTGDR, GRIN2A, PTGDR2 | ALDH1A1 826/4885TSHR 861/4885MAPK1 2195/4885 |
“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.