Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13693761 | 0.78 | HTT (0.43) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL12340471 | 0.78 | CYP1A2 (0.42) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL22120342 | 0.77 | ALDH1A1 (0.36) | ALDH1A1PARP1KDM4AKDM4BKDM5C | |
| SCHEMBL503829 | 0.76 | CYP1A2 (0.41) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL28539812 | 0.76 | HPGD (0.52) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL25581160 | 0.76 | CYP1A2 (0.41) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| Bromide SCHEMBL28544715 | 0.74 | HPGD (0.50) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL22775923 | 0.68 | — | — | |
| SCHEMBL3957474 | 0.68 | HCAR2 (0.34) | CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1 | |
| SCHEMBL2830891 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11049758-A | — | — | None | — | — | JP | disclosed |
| WO-2020236692-A1 | PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS | MERCK SHARP & DOHME CORP. (US) | 2020-11-26 | — | — | WO | disclosed |
| CN-104744441-A | Preparation method of voriconazole | LI LEI | 2015-07-01 | — | — | CN | disclosed |
| JP-H1149758-A | PRODUCTION OF 6-SUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE | ASAHI GLASS CO LTD | 1999-02-23 | — | — | JP | disclosed |
| US-5773443-A | Triazole antifungal agents | PFIZER INC. (US) | 1998-06-30 | — | — | US | disclosed |
| US-5567817-A | Triazole antifungal agents | PFIZER INC. (US) | 1996-10-22 | — | — | US | disclosed |
| US-5278175-A | Halopyridyl fungicides | PFIZER INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0440372-B1 | TRIAZOLE ANTIFUNGAL AGENTS | Pfizer Limited (GB) | 1993-06-02 | — | — | EP | disclosed |
| EP-0440372-A1 | Triazole antifungal agents | Pfizer Limited (GB) | 1991-08-07 | — | — | EP | disclosed |