Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 8/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17086917 | 0.78 | MAOA (0.48) | MAOAMAOBCYP1A2LMNAHSD17B10 | |
| SCHEMBL16319037 | 0.78 | MAOA (0.57) | MAOAMAOBCYP1A2LMNAHSD17B10 | |
| SCHEMBL1023355 | 0.76 | FTO (0.52) | MAOAFTOESR1ESR2LMNA | |
| SCHEMBL12279132 | 0.75 | MAOA (0.55) | MAOAMAOBCYP1A2LMNAHSD17B10 | |
| SCHEMBL1533447 | 0.75 | CYP1A2 (0.57) | ESR1ESR2CYP1A2LMNAALOX15 | |
| SCHEMBL30819828 | 0.74 | FTO (0.50) | MAOAMAOBFTOESR1ESR2 | |
| SCHEMBL8133413 | 0.74 | FTO (0.50) | MAOAMAOBFTOESR1ESR2 | |
| SCHEMBL1692369 | 0.73 | CYP1A2 (0.55) | ESR1ESR2CYP1A2LMNAALOX15 | |
| SCHEMBL29899643 | 0.73 | CYP1A2 (0.55) | ESR1ESR2CYP1A2LMNAALOX15 | |
| SCHEMBL4444894 | 0.71 | KDM4E (0.63) | MAOAMAOBESR1ESR2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117794930-A | KRAS inhibitors | 苏州亚盛药业有限公司 | 2024-03-29 | — | — | CN | disclosed |