Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.78 |
| ▸ | MAPT | P10636 | 1/20 | 0.78 |
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1028538 | 0.88 | CYP1A2 (1.00) | CYP1A2CYP2D6MAPTCRHBPCRHR2 | |
| SCHEMBL1024211 | 0.79 | HRH4 (0.70) | CYP1A2CYP2D6MAPTKMT2AHRH4 | |
| SCHEMBL1318180 | 0.76 | MAPT (0.72) | CYP1A2CYP2D6MAPTCRHBPCRHR2 | |
| SCHEMBL3719291 | 0.76 | MAPT (0.72) | CYP1A2CYP2D6MAPTCRHBPCRHR2 | |
| SCHEMBL2804769 | 0.76 | CASP1 (0.59) | CYP1A2CYP2D6MAPTKMT2AHRH4 | |
| SCHEMBL27825516 | 0.76 | MAPT (0.55) | CYP1A2CYP2D6MAPTKMT2AHSP90AB1 | |
| SCHEMBL3293436 | 0.76 | CRHBP (0.77) | CYP1A2CYP2D6MAPTCRHBPCRHR2 | |
| SCHEMBL16711175 | 0.75 | CYP2D6 (0.55) | CYP1A2CYP2D6MAPTHSP90AA1HSP90AB1 | |
| SCHEMBL2073711 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP2D6MAPTKMT2AHSP90AA1 | |
| SCHEMBL1320033 | 0.75 | CYP1A2 (0.70) | CYP1A2CYP2D6MAPTCRHBPCRHR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015069752-A9 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-07-09 | — | — | WO | disclosed |
| WO-2015069752-A1 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-14 | — | — | WO | disclosed |