Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20312244 | 0.80 | CYP2C9 (0.40) | EPHX1USP2TSHRCYP2C9CYP1A2 | |
| SCHEMBL13709104 | 0.76 | EPHX1 (0.33) | EPHX1USP2CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL12883924 | 0.74 | EPHX1 (0.38) | EPHX1USP2TSHRCYP2C9CYP1A2 | |
| SCHEMBL23714589 | 0.74 | EPHX1 (0.41) | EPHX1USP2TSHRCYP2C9CYP1A2 | |
| SCHEMBL12883927 | 0.74 | HSD11B1 (0.41) | EPHX1TSHRCYP2C9ALDH1A1 | |
| SCHEMBL20312912 | 0.74 | CYP2D6 (0.35) | EPHX1USP2TSHRCYP2C9CYP1A2 | |
| SCHEMBL771850 | 0.72 | GAA (0.53) | EPHX1TSHRALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL31597078 | 0.72 | EPHX1 (0.38) | EPHX1USP2TSHRCYP2C9CYP1A2 | |
| SCHEMBL24606819 | 0.71 | CYP1A2 (0.47) | USP2TSHRCYP2C9CYP1A2CYP2D6 | |
| SCHEMBL17176084 | 0.71 | USP2 (0.51) | USP2TSHRCYP2C9CYP1A2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313844-B1 | HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-26 | — | — | EP | disclosed |