Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26228656 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HCAR2TDP1GLABRD4 | |
| SCHEMBL5363573 | 0.85 | HCAR2 (0.59) | ALDH1A1HCAR2TDP1LMNAMAPK1 | |
| SCHEMBL5363575 | 0.85 | HCAR2 (0.59) | ALDH1A1HCAR2TDP1LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL5352171 | 0.83 | HCAR2 (0.58) | ALDH1A1HCAR2TDP1LMNAMAPK1 | |
| SCHEMBL11009967 | 0.82 | HCAR2 (0.49) | ALDH1A1HCAR2BRD4LMNACA12 | |
| SCHEMBL31395232 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HCAR2TDP1BRD4MAOB | |
| SCHEMBL3463121 | 0.81 | HCAR2 (0.47) | ALDH1A1HCAR2TDP1LMNAMAPK1 | |
| SCHEMBL5352165 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HCAR2TDP1LMNAMAPK1 | |
| SCHEMBL28581848 | 0.80 | IDO1 (0.42) | ALDH1A1LMNATSHR | |
| SCHEMBL10348825 | 0.80 | HCAR2 (0.69) | ALDH1A1HCAR2TDP1MAOBLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667994-A1 | QUINOLONE ANTIBACTERIAL AGENTS | Warner-Lambert Company LLC (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005026154-A1 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-24 | — | — | WO | disclosed |
| WO-2005026165-A1 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-03-24 | — | — | WO | disclosed |