Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL1178754 | 0.89 | KDM4E (0.50) | NPC1ALDH1A1CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL31656522 | 0.87 | KDM4E (0.54) | NPC1ALDH1A1CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1954121 | 0.87 | KDM4E (0.54) | NPC1ALDH1A1CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL4838526 | 0.87 | KDM4E (0.54) | NPC1ALDH1A1CYP2D6CYP2C19KDM4E | |
| 2-Chloropyridine SCHEMBL28052103 | 0.85 | TDP1 (0.76) | TDP1NPC1KDM4ETAAR1HRH1 | |
| SCHEMBL2002016 | 0.80 | HRH1 (0.53) | NPC1ALDH1A1CYP2D6CYP2C19KDM4E | |
| SCHEMBL4190714 | 0.77 | KDM4E (0.50) | TDP1NPC1ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL29263736 | 0.77 | HRH1 (0.55) | NPC1ALDH1A1CYP2D6CYP2C19HRH1 | |
| SCHEMBL13822632 | 0.77 | HTR1B (0.42) | KDM4ETAAR1LTA4HPLA2G2AHTR1B | |
| 2-Chloropyridine SCHEMBL27904570 | 0.76 | TDP1 (0.67) | TDP1NPC1KDM4EHRH1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303329-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G Limited (GB) | 2011-04-06 | — | — | EP | disclosed |
| WO-2009144473-A1 | ANTIFUNGAL COMBINATION THERAPY | F2G LIMITED (GB) | 2009-12-03 | — | — | WO | disclosed |
| EP-2097413-A1 | 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008062182-A1 | 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS | F2G LTD (GB) | 2008-05-29 | — | — | WO | disclosed |