Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5051704 | 0.79 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL10476636 | 0.79 | CYP2A6 (0.39) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL647106 | 0.79 | CA1 (0.41) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL16289785 | 0.76 | ALDH1A1 (0.36) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL28656149 | 0.76 | CYP1A2 (0.44) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL21858086 | 0.75 | APP (0.44) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL21858026 | 0.73 | CHAT (0.45) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL2254411 | 0.71 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL20507044 | 0.71 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6TDP1TSHR | |
| SCHEMBL20507058 | 0.71 | ALDH1A1 (0.34) | ALDH1A1HSD17B10CYP2A6TDP1TSHR |
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-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |