Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPAS1 | Q99814 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22826881 | 1.00 | EPAS1 (0.52) | EPAS1MAOBALDH1A1PKMGAA | |
| Acetaldehyde SCHEMBL28708085 | 0.95 | EPAS1 (0.48) | EPAS1MAOBALDH1A1PKMGAA | |
| SCHEMBL25192929 | 0.86 | NOTUM (0.50) | EPAS1ALDH1A1CYP1A2CYP2C19MAPT | |
| SCHEMBL31073896 | 0.86 | NOTUM (0.50) | EPAS1ALDH1A1CYP1A2CYP2C19MAPT | |
| SCHEMBL22859971 | 0.84 | MAOB (0.46) | MAOBALDH1A1GAACYP1A2CYP2C19 | |
| SCHEMBL27345913 | 0.83 | CREBBP (0.51) | EPAS1MAOBALDH1A1PKMGAA | |
| SCHEMBL30811602 | 0.83 | CREBBP (0.51) | EPAS1MAOBALDH1A1PKMGAA | |
| SCHEMBL9658234 | 0.82 | CREBBP (0.54) | MAOBALDH1A1GAACYP1A2CYP2C19 | |
| SCHEMBL21191031 | 0.82 | BRD4 (0.51) | EPAS1ALDH1A1PKMGAAMAPT | |
| SCHEMBL9658204 | 0.81 | CREBBP (0.46) | MAOBALDH1A1GAACYP1A2CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114286818-B | Heterocyclic compounds as BET inhibitors | 诺维逊生物股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-112094266-B | Pyrrolopyridinone compound, preparation method, composition and application thereof | 中国科学院上海药物研究所 | 2023-03-21 | — | — | CN | disclosed |
| EP-3997070-A1 | HETEROCYCLIC COMPOUNDS AS BET INHIBITORS | Nuvation Bio Inc. (US) | 2022-05-18 | — | — | EP | disclosed |
| CN-114286818-A | Heterocyclic compounds as BET inhibitors | 诺维逊生物股份有限公司 | 2022-04-05 | — | — | CN | disclosed |