Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.85 |
| ▸ | TSHR | P16473 | 3/20 | 0.85 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.85 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL4908172 | 0.89 | ALDH1A1 (0.84) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL5696427 | 0.88 | HCAR2 (0.78) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL5696432 | 0.87 | ALDH1A1 (0.80) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL4293558 | 0.87 | ALDH1A1 (0.80) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL420221 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL3554671 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL416414 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL5696440 | 0.82 | HCAR2 (0.76) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL416810 | 0.81 | SERPINE1 (0.60) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 | |
| SCHEMBL8689332 | 0.81 | HCAR2 (1.00) | ALDH1A1TSHRMAPK10HSD17B10HCAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670749-A1 | 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005016870-A1 | 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |