Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070319 | 0.78 | DPP4 (0.58) | CYP2A6CYP11B1CYP11B2HTR2ACALM1 | |
| SCHEMBL340250 | 0.78 | DPP4 (0.58) | CYP2A6CYP11B1CYP11B2HTR2ACALM1 | |
| SCHEMBL30340124 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL21480391 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCDPP4 | |
| SCHEMBL3181212 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCDPP4 | |
| SCHEMBL7502553 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCDPP4 | |
| SCHEMBL12819940 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL477489 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCDPP4 | |
| SCHEMBL10902241 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1PTPRCDPP4 | |
| SCHEMBL8279414 | 0.78 | DPP4 (0.59) | CYP2A6CYP2B6CYP2E1PTPRCDPP4 |
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-100575351-C | Preparation of heterocyclic ketones | BASELL POLYOLEFINE GMBH | 2009-12-30 | — | — | CN | disclosed |
| CN-1729184-A | Preparation of heterocyclic ketones | BASELL POLYOLEFINE GMBH (DE) | 2006-02-01 | — | — | CN | disclosed |