Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23938618 | 0.82 | CYP3A4 (0.35) | ESR2ESR1ALDH1A1ELANE | |
| SCHEMBL19658316 | 0.82 | MCL1 (0.36) | MCL1CYP2A6CYP1A2ESR2ESR1 | |
| SCHEMBL22432380 | 0.81 | MCL1 (0.38) | MCL1CYP2A6CYP1A2PRKDCALDH1A1 | |
| SCHEMBL22560717 | 0.78 | MCL1 (0.36) | MCL1CYP2A6CYP1A2ESR2ESR1 | |
| SCHEMBL21913141 | 0.75 | MCL1 (0.43) | MCL1ESR2ESR1ALDH1A1MAOA | |
| SCHEMBL21325665 | 0.75 | MCL1 (0.40) | MCL1CYP2A6CYP1A2ESR2PRKDC | |
| SCHEMBL15046889 | 0.74 | MCL1 (0.56) | MCL1CYP2A6CYP1A2ESR2PRKDC | |
| SCHEMBL18685767 | 0.73 | KDM4E (0.47) | ALDH1A1MAOAMAOBSMN1; SMN2 | |
| SCHEMBL674402 | 0.73 | CYP2A6 (0.41) | CYP2A6CYP1A2ALDH1A1CXCR5 | |
| SCHEMBL458856 | 0.73 | CYP2A6 (0.41) | CYP2A6CYP1A2ALDH1A1CXCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4242286-A2 | MATERIALS FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2023-09-13 | — | — | EP | disclosed |
| EP-3070144-B1 | SEVEN-MEMBERED RING COMPOUNDS | IDEMITSU KOSAN CO (JP) | 2018-02-28 | — | — | EP | disclosed |