Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10385356 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL28829849 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL5935759 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL10626417 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL21227107 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL4613994 | 0.98 | ALDH1A1 (0.46) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL1287680 | 0.93 | ALDH1A1 (0.47) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL10942355 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL29223960 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTHTTNPSR1HPGD | |
| SCHEMBL8206271 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTHTTHPGDPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4980371-A | TREATMENT OF HIV INFECTIONS/LEUKEMIA; ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | MERRELL DOW PHARMACEUTICALS (US) | 1990-12-25 | — | — | US | disclosed |
| EP-0374886-A2 | Antiretroviral furan ketones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-06-27 | — | — | EP | disclosed |