Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 11/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22967806 | 0.84 | CYP1A2 (0.52) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL12505926 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL18428158 | 0.79 | MTNR1A (0.48) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL20719110 | 0.78 | HTR1A (0.41) | TRPV1MTNR1AMTNR1BHTR2C | |
| SCHEMBL17187860 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL20317323 | 0.77 | ALDH1A1 (0.59) | MEN1KMT2A | |
| SCHEMBL7837604 | 0.77 | CYP2A6 (0.57) | TRPV1CYP1A2CYP2A6MEN1KMT2A | |
| SCHEMBL5981374 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL1402462 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL28532690 | 0.76 | CYP1A2 (0.46) | TRPV1CYP1A2CYP2A6MTNR1AMTNR1B |
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-109843856-A | KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2019-06-04 | — | — | CN | disclosed |