Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | SCN1A | P35498 | 2/20 | 0.72 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.72 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22987103 | 0.93 | CYP1A2 (0.78) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL4001016 | 0.89 | CYP1A2 (0.58) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL10246464 | 0.87 | CYP1A2 (0.70) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL31107344 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL14304166 | 0.85 | CYP1A2 (0.80) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL14974921 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| Propoxycaine SCHEMBL8683800 | 0.84 | CYP1A2 (0.83) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| Propoxycaine SCHEMBL29353209 | 0.84 | SCN1A (1.00) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| Propoxycaine SCHEMBL83073 | 0.84 | SCN1A (1.00) | CYP1A2CYP2D6SCN1ASCN2ASCN3A | |
| SCHEMBL14975593 | 0.84 | CYP1A2 (0.52) | CYP1A2CYP2D6SCN1ASCN2ASCN3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | disclosed |