Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GCGR | P47871 | 2/20 | 0.41 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29048648 | 0.98 | CYP2D6 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29048610 | 0.97 | PTPN11 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29048640 | 0.96 | GCGR (0.41) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29048612 | 0.89 | CYP2D6 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30525977 | 0.89 | CYP2D6 (0.40) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL21670573 | 0.89 | CYP2D6 (0.40) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL29048609 | 0.89 | KDM4E (0.45) | CYP19A1FGFR2CYP11B1CYP11B2MAPK10 | |
| SCHEMBL29048674 | 0.87 | CYP2D6 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL21670599 | 0.87 | PTPN11 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30526014 | 0.87 | PTPN11 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110446770-B | Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same | 百乐墨水株式会社 | 2023-08-08 | — | — | CN | disclosed |