Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 6/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28706150 | 0.89 | ESR1 (0.47) | IDO1ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL29940279 | 0.88 | IDO1 (0.57) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL28286305 | 0.88 | IDO1 (0.57) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL22817216 | 0.84 | IDO1 (0.52) | IDO1ESR2POLBNPC1RAB9A | |
| SCHEMBL17672031 | 0.82 | BACE1 (0.55) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL5584438 | 0.81 | IDO1 (0.52) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL31087555 | 0.80 | BACE1 (0.58) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL11460811 | 0.80 | BACE1 (0.58) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL5584437 | 0.79 | IDO1 (0.50) | IDO1POLBNPC1RAB9AALDH1A1 | |
| SCHEMBL28697742 | 0.79 | ESR2 (0.56) | 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 1 patent. 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 |