Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7690257 | 0.85 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| Isopropylbenzene SCHEMBL15519354 | 0.84 | SCN4A (0.49) | ALDH1A1SMN1; SMN2CYP1A2ARMEN1 | |
| SCHEMBL13160049 | 0.81 | SLC6A4 (0.54) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5018840 | 0.81 | XIAP (0.54) | ALDH1A1HPGDARMAPK1HTT | |
| SCHEMBL15472269 | 0.81 | HTT (0.73) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5289687 | 0.80 | HPGD (0.41) | ALDH1A1HPGDCYP1A2ARTSHR | |
| SCHEMBL13255810 | 0.80 | CASP1 (0.46) | ALDH1A1SMN1; SMN2HPGDARMEN1 | |
| SCHEMBL12653055 | 0.80 | HTR2A (0.54) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL554682 | 0.80 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 | |
| SCHEMBL29553309 | 0.80 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180086748-A1 | HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2018-03-29 | — | — | US | disclosed |
| US-9624239-B2 | Protein kinase inhibitors | PHARMASCIENCE INC. (CA) | 2017-04-18 | — | — | US | disclosed |
| US-20140045833-A1 | Protein Kinase Inhibitors | PHARMASCIENCE INC. (CA) | 2014-02-13 | — | — | US | disclosed |
| US-20140045833-A1 | Protein Kinase Inhibitors | PHARMASCIENCE INC. (CA) | 2014-02-13 | — | — | US | disclosed |
| US-7462625-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7462625-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-20070208049-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-09-06 | — | — | US | disclosed |
| US-20070208049-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-09-06 | — | — | US | disclosed |
| US-7179815-B2 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-02-20 | — | — | 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 (3 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-20180086748-A1 | HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS | BTK, SYK, LCK | ALDH1A1 3329/4885SMN1; SMN2 4810/4885HPGD 2600/4885 |
| US-20140045833-A1 | Protein Kinase Inhibitors | LCK, BTK, TEC | ALDH1A1 4846/4885SMN1; SMN2 3711/4885HPGD 4424/4885 |
| US-20070208049-A1 | Gonadotropin-releasing hormone receptor antagonists and methods relating thereto | GNRHR, GHRHR, LHCGR | ALDH1A1 3443/4885SMN1; SMN2 4398/4885HPGD 1055/4885 |
“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.