Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL30040379 | 0.83 | CYP2A6 (0.71) | CYP2A6CES1CYP1A2SRD5A1SRD5A2 | |
| SCHEMBL5683553 | 0.79 | CYP2A6 (0.54) | CYP2A6CES1AKR1B1CYP1A2 | |
| SCHEMBL27757405 | 0.79 | CYP2A6 (0.35) | CYP2A6CES1AKR1B1GSR | |
| SCHEMBL27402612 | 0.79 | CYP2A6 (0.35) | CYP2A6CES1AKR1B1GSRKDM4E | |
| SCHEMBL27476234 | 0.79 | CYP2A6 (0.35) | CYP2A6CES1AKR1B1GSR | |
| SCHEMBL8460056 | 0.78 | CES1 (0.54) | CYP2A6CES1AKR1B1SRD5A1SRD5A2 | |
| SCHEMBL7525372 | 0.77 | AKR1B1 (0.63) | CYP2A6CES1AKR1B1CYP1A2TDP1 | |
| SCHEMBL27346636 | 0.77 | CES1 (0.47) | CYP2A6CES1AKR1B1SRD5A1SRD5A2 | |
| SCHEMBL8941775 | 0.77 | CYP2A6 (0.47) | CYP2A6CES1AKR1B1SRD5A1SRD5A2 | |
| SCHEMBL26690492 | 0.75 | CYP2A6 (0.48) | CYP2A6CES1CYP1A2SRD5A1MAOA |
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-108602823-A | As deubiquitinating enzymes（DUB）The spiral shell of inhibitor-condensation pyrrolidin derivatives | 特殊治疗有限公司 | 2018-09-28 | — | — | CN | claimed |
| CN-108602823-A | As deubiquitinating enzymes（DUB）The spiral shell of inhibitor-condensation pyrrolidin derivatives | 特殊治疗有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-107428744-A | Novel heterocyclic compounds and its application in medicine and cosmetics | 盖尔德马研究及发展公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105884758-A | Tricyclic compound and application thereof to drugs | 广东东阳光药业有限公司 | 2016-08-24 | — | — | CN | disclosed |