Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CCR3 | P51677 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 5/20 | 0.50 |
| ▸ | BCHE | P06276 | 4/20 | 0.50 |
| ▸ | BACE1 | P56817 | 4/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688622 | 0.83 | CXCR4 (0.58) | CXCR4CYP1A2CYP2D6HIF1ACCR3 | |
| SCHEMBL28657725 | 0.81 | CCR3 (0.57) | CXCR4CYP1A2CYP2D6CCR3ACHE | |
| SCHEMBL4923829 | 0.81 | CXCR4 (0.61) | CXCR4CYP1A2CYP2D6HIF1ACCR3 | |
| SCHEMBL11909092 | 0.80 | HDAC3 (0.54) | CXCR4DRD2DRD4DRD3ACHE | |
| SCHEMBL5823 | 0.80 | HDAC3 (0.54) | CXCR4DRD2DRD4DRD3ACHE | |
| SCHEMBL9437321 | 0.79 | ACHE (0.60) | CXCR4CYP1A2CYP2D6HIF1ACCR3 | |
| SCHEMBL10693231 | 0.79 | CXCR4 (0.59) | CXCR4CYP1A2CYP2D6HIF1ACCR3 | |
| SCHEMBL28788675 | 0.79 | CCR3 (0.62) | CXCR4CYP1A2CYP2D6HIF1ACCR3 | |
| SCHEMBL3810288 | 0.78 | CXCR4 (0.62) | CXCR4CYP1A2CYP2D6HIF1ACCR3 | |
| Hydrochloric Acid SCHEMBL10692701 | 0.78 | CXCR4 (0.58) | CXCR4CYP1A2CYP2D6HIF1ACCR3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4777175-A | (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-10-11 | — | — | US | disclosed |
| US-4771054-A | QUINOLINE CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| EP-0106489-B1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1988-07-27 | — | — | EP | disclosed |
| US-4665079-A | QUINOLINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1987-05-12 | — | — | US | disclosed |
| US-4638067-A | NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS | WARNER-LAMBERT CO. (US) | 1987-01-20 | — | — | US | disclosed |
| EP-0153163-A2 | 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds | WARNER-LAMBERT COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| EP-0106489-A2 | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |