Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 12/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL28695036 | 0.80 | OPRL1 (0.57) | ESR1ESR2CYP3A4CYP2C9OPRL1 | |
| SCHEMBL20103666 | 0.80 | OPRL1 (0.43) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL20103351 | 0.79 | ESR2 (0.54) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL20103354 | 0.76 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL20103352 | 0.76 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL28706063 | 0.76 | ESR1 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL21644870 | 0.75 | ESR1 (0.39) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL20103372 | 0.75 | ESR1 (0.39) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL28248155 | 0.74 | CHRNB2 (0.41) | OPRL1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL28710432 | 0.74 | ESR1 (0.44) | ESR1ESR2CYP3A4CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109952300-B | 5-or 8-substituted imidazo [1,5-a ] pyridines | 百济神州有限公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-109952300-A | As indoleamine 2, imidazo [1,5-a] pyridine of the novel 5 or 8- substitution of 3- dioxygenase enzyme and/or tryptophan 2,3- dioxygenase enzyme selectivity inhibitor | 百济神州有限公司 | 2019-06-28 | — | — | CN | disclosed |