Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28368790 | 0.84 | KDM4E (0.44) | CYP19A1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28365129 | 0.84 | CYP19A1 (0.49) | CYP19A1MAPTALDH1A1HPGDL3MBTL1 | |
| SCHEMBL28365207 | 0.83 | KDM4E (0.47) | CYP19A1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28202823 | 0.82 | ALDH1A1 (0.50) | CYP19A1ALDH1A1L3MBTL1PTGS1HTT | |
| SCHEMBL28369113 | 0.81 | CYP19A1 (0.52) | CYP19A1ALDH1A1PPARGTSHRNOTUM | |
| SCHEMBL28365057 | 0.81 | CYP19A1 (0.46) | CYP19A1MAPTALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL28369134 | 0.80 | BIRC5 (0.44) | CYP19A1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28369162 | 0.79 | CYP19A1 (0.43) | CYP19A1ALDH1A1HPGDPTGS2PTGS1 | |
| SCHEMBL75134 | 0.78 | CYP19A1 (0.52) | CYP19A1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28365347 | 0.77 | NOTUM (0.40) | CYP19A1MAPTALDH1A1HTTTSHR |
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-107619385-B | Method for synthesizing 2-trifluoromethyl indole by palladium-catalyzed aryl enamine intramolecular amine | 温州大学 | 2020-02-21 | — | — | CN | disclosed |