Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.44 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.44 |
| ▸ | PSMB1 | P20618 | 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 | |
|---|---|---|---|---|
| SCHEMBL28385313 | 0.97 | ALDH1A1 (0.45) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL7457596 | 0.90 | HSD17B10 (0.54) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL28887990 | 0.84 | KDM4E (0.43) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL9828241 | 0.83 | HSD17B10 (0.48) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL29111421 | 0.83 | ALDH1A1 (0.65) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL4542517 | 0.83 | ALDH1A1 (0.63) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL16619850 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MAPTCYP1A2CYP3A4TDP1 | |
| SCHEMBL96635 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MAPTCYP1A2CYP3A4TDP1 | |
| SCHEMBL7457620 | 0.81 | TUBB1 (0.55) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL1748511 | 0.81 | ALDH1A1 (0.66) | ALDH1A1MAPTTDP1PDCD1CD274 |
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-6017916-A | Nonpeptide endothelin antagonists I | WARNER-LAMBERT COMPANY (US) | 2000-01-25 | — | — | US | disclosed |
| US-5691373-A | TREATING SUBARACHNOID HEMORRHAGE | WARNER-LAMBERT COMPANY (US) | 1997-11-25 | — | — | US | disclosed |