Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPR3 | P17342 | 2/20 | 0.39 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7693381 | 1.00 | LY96 (0.48) | LY96CTSSCTSKITGA4ITGB7 | |
| SCHEMBL7692142 | 0.79 | NPSR1 (0.42) | NPR3CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL7691052 | 0.79 | HTT (0.38) | NPR3POLBMAPTTDP1 | |
| SCHEMBL7685067 | 0.78 | MMP1 (0.48) | CYP2C9CYP2C19POLB | |
| SCHEMBL7689863 | 0.78 | MMP1 (0.48) | CYP2C9CYP2C19POLB | |
| SCHEMBL6286907 | 0.78 | ELANE (0.46) | LY96ITGA4ITGB7NPR3CYP3A4 | |
| SCHEMBL7693656 | 0.76 | CTSS (0.38) | CTSSCTSKPOLB | |
| SCHEMBL7684474 | 0.76 | TACR1 (0.50) | CTSSCTSKPOLBMAPTTDP1 | |
| SCHEMBL7684472 | 0.76 | TACR1 (0.50) | CTSSCTSKPOLBMAPTTDP1 | |
| SCHEMBL19354815 | 0.75 | CTSS (0.53) | LY96CTSSCTSKITGA4ITGB7 |
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-6500842-B1 | N-((4-CHLOROPHENYL)METHYL)-8-HYDROXY-7-QUINOLINECARBOXAMIDE ADMINISTERED AS VIRICIDES AGAINST HERPES VIRUS | PHARMACIA & UPJOHN COMPANY | 2002-12-31 | — | — | US | disclosed |
| US-6310211-B1 | ANTI-VIRAL ACTIVITY AGAINST HERPES VIRUS, CYTOMEGALOVIRUS. MANY OF THESE COMPOUNDS ARE ALSO ACTIVE AGAINST VARICELLA ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HERPES SIMPLEX VIRUS AND HUMAN HERPES VIRUS TYPE 8 | PHARMACIA & UPJOHN COMPANY | 2001-10-30 | — | — | US | disclosed |
| US-6252080-B1 | HERPES, CYTOMEGALO VIRUS | PHARMACIA & UPJOHN COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6211376-B1 | HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS | PHARMACIA & UPJOHN COMPANY | 2001-04-03 | — | — | US | disclosed |
| EP-0927164-A1 | 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998011073-A1 | 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 1998-03-19 | — | — | WO | disclosed |