Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL10947937 | 0.90 | ALDH1A1 (0.77) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| Nitrobenzene SCHEMBL28494191 | 0.88 | ALDH1A1 (0.74) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| Nitrobenzene SCHEMBL27869469 | 0.86 | ALDH1A1 (0.76) | ALDH1A1LMNAKMT2AMEN1L3MBTL1 | |
| Nitrobenzene SCHEMBL718033 | 0.86 | ALDH1A1 (0.76) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| Benzidine SCHEMBL28853950 | 0.84 | ALDH1A1 (0.68) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| Benzenethiol SCHEMBL27708403 | 0.81 | ALDH1A1 (0.68) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| Nitrobenzene SCHEMBL27723328 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| Nitrobenzene SCHEMBL28671223 | 0.80 | ALDH1A1 (0.67) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| SCHEMBL1362 | 0.79 | ALDH1A1 (0.56) | ALDH1A1LMNAKMT2AMEN1L3MBTL1 | |
| 4-Nitroaniline SCHEMBL13529022 | 0.79 | ALDH1A1 (1.00) | ALDH1A1LMNAKMT2AMEN1MAPT |
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 |