Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14525486 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL14444114 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL765694 | 0.79 | LMNA (0.59) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL20802476 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL2723074 | 0.77 | CYP2A6 (0.52) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL14525492 | 0.76 | CYP1A2 (0.46) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL3828940 | 0.76 | NCEH1 (0.45) | CYP2A6LMNAKDM4EALDH1A1GAA | |
| SCHEMBL15976515 | 0.76 | ESR1 (0.58) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL14606248 | 0.76 | CYP1A2 (0.46) | CYP1A2CYP2A6LMNAKDM4EALDH1A1 | |
| SCHEMBL30887721 | 0.76 | ESR1 (0.55) | CYP1A2ESR1ESR2DAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024107686-A1 | MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2024-05-23 | — | — | WO | disclosed |