Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.80 |
| ▸ | TSHR | P16473 | 3/20 | 0.80 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.80 |
| ▸ | MAPT | P10636 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
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) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL4293558 | 0.87 | ALDH1A1 (0.80) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL5696463 | 0.87 | ALDH1A1 (0.85) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL3552433 | 0.82 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL5696442 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL5928699 | 0.80 | KMT2A (0.78) | ALDH1A1TSHRMAPK10HSD17B10KMT2A | |
| SCHEMBL31239117 | 0.78 | RAB9A (0.80) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL8689332 | 0.78 | HCAR2 (1.00) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL4297503 | 0.78 | HIF1A (0.80) | ALDH1A1TSHRMAPK10HSD17B10MAPT | |
| SCHEMBL10502377 | 0.78 | KMT2A (1.00) | ALDH1A1TSHRMAPK10HSD17B10MAPT |
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 |