Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL8844616 | 0.79 | ACHE (0.48) | CYP3A4CYP2C9KDM4ENPC1L3MBTL1 | |
| SCHEMBL1740324 | 0.78 | CYP2D6 (0.52) | CYP3A4CYP2C9CYP2D6USP30ACHE | |
| SCHEMBL8844170 | 0.77 | MAPK1 (0.53) | L3MBTL1CYP2D6USP30ACHEBCHE | |
| SCHEMBL19318462 | 0.75 | DPP4 (0.41) | CYP3A4CYP2D6CXCR4OPRL1 | |
| SCHEMBL8844465 | 0.75 | PDCD1LG2 (0.52) | CYP3A4CYP2C9CYP2D6USP30ACHE | |
| SCHEMBL14868702 | 0.75 | PDCD1LG2 (0.52) | CYP3A4CYP2C9CYP2D6USP30ACHE | |
| SCHEMBL13003294 | 0.75 | HRH3 (0.56) | KDM4EACHEBCHEBACE1DRD2 | |
| SCHEMBL9488315 | 0.74 | MEN1 (0.49) | ACHEBCHEBACE1OPRL1DRD2 | |
| Hydrochloric Acid SCHEMBL4795570 | 0.74 | DPP4 (0.40) | CYP3A4CYP2D6CXCR4OPRL1 | |
| SCHEMBL2710149 | 0.73 | ACHE (0.57) | ACHEBCHEBACE1DRD2DRD4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622966-A | BACTERICIDES TREATING INFECTIONS | WARNER-LAMBERT COMPANY (US) | 1997-04-22 | — | — | US | disclosed |
| US-5446044-A | Bactericides | WARNER-LAMBERT COMPANY (US) | 1995-08-29 | — | — | US | disclosed |
| US-5384407-A | Pyrrolidine compounds | WARNER-LAMBERT COMPANY (US) | 1995-01-24 | — | — | US | disclosed |
| US-5342844-A | 7-substituted quinolones and naphthyridones as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1994-08-30 | — | — | US | disclosed |
| WO-1993016077-A1 | 7-SUBSTITUTED QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5221676-A | 7-substituted quinolones and naphthyridones as antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1993-06-22 | — | — | US | disclosed |