Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 7/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | STAT6 | P42226 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4273991 | 0.73 | VCAM1 (0.54) | ALDH1A1MAPTERN1 | |
| SCHEMBL9664960 | 0.73 | TDP1 (0.60) | ALDH1A1MAPTCYP3A4ALOX15ERN1 | |
| SCHEMBL9730400 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10ERN1TP53 | |
| SCHEMBL9798217 | 0.73 | ERN1 (0.43) | ALDH1A1ERN1TDP1 | |
| SCHEMBL7383362 | 0.71 | ALDH1A1 (0.60) | ALDH1A1MAPTHSD17B10NPSR1CYP1A2 | |
| SCHEMBL2556452 | 0.71 | ERN1 (0.50) | ALDH1A1MAPTERN1TDP1 | |
| SCHEMBL10478265 | 0.70 | HSD17B10 (0.46) | ALDH1A1MAPTCYP3A4HSD17B10KDM4E | |
| SCHEMBL3362982 | 0.69 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4ETDP1 | |
| SCHEMBL2928829 | 0.69 | MAPK1 (0.53) | ALDH1A1MAPTNPSR1MAPK1TDP1 | |
| SCHEMBL11287458 | 0.69 | TDP1 (0.53) | ALDH1A1MAPTCYP3A4MAPK1HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371564-B1 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-07-12 | — | — | EP | disclosed |
| US-5037829-A | Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-06 | — | — | US | disclosed |
| EP-0371564-A2 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-06-06 | — | — | EP | disclosed |