Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GLS | O94925 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7691051 | 1.00 | HTT (0.38) | HTTHSD17B10CA1CA2ALDH1A1 | |
| SCHEMBL7692142 | 0.85 | NPSR1 (0.42) | ALDH1A1POLBTDP1MAPTGAA | |
| SCHEMBL7692145 | 0.85 | NPSR1 (0.42) | ALDH1A1POLBTDP1MAPTGAA | |
| SCHEMBL7693656 | 0.81 | CTSS (0.38) | HTTHSD17B10CA1CA2ALDH1A1 | |
| SCHEMBL7684472 | 0.73 | TACR1 (0.50) | ALDH1A1POLBTDP1MAPTGAA | |
| SCHEMBL19365645 | 0.71 | CYP2D6 (0.41) | HTTALDH1A1POLBCYP2D6TDP1 | |
| SCHEMBL19609 | 0.71 | CYP2D6 (0.41) | HTTALDH1A1POLBCYP2D6TDP1 | |
| SCHEMBL22398849 | 0.69 | CYP2D6 (0.42) | HTTCA1CA2ALDH1A1POLB | |
| SCHEMBL17995262 | 0.69 | CYP2D6 (0.42) | HTTCA1CA2ALDH1A1POLB | |
| SCHEMBL7871486 | 0.69 | CYP2D6 (0.42) | HTTCA1CA2ALDH1A1POLB |
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 |