Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8329698 | 0.89 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7795627 | 0.74 | SMN1; SMN2 (0.39) | ALDH1A1CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL5849893 | 0.73 | MAPT (0.78) | ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5849632 | 0.71 | MAPT (0.76) | ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL761148 | 0.71 | CHRM1 (0.71) | ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13405950 | 0.70 | LMNA (0.64) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13406240 | 0.69 | ALDH1A1 (0.77) | ALDH1A1MAPTHSD17B10TP53TSHR | |
| SCHEMBL8180031 | 0.68 | ITGB3 (0.45) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL13405896 | 0.68 | ALDH1A1 (0.83) | ALDH1A1MAPTHSD17B10TP53PKM | |
| SCHEMBL21784321 | 0.67 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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-0869787-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0869787-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024119-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |