Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 4/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.37 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.35 |
| ▸ | MAT2A | P31153 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28369162 | 0.84 | CYP19A1 (0.43) | NOTUMPLA2G10CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28365127 | 0.81 | NOTUM (0.52) | NOTUMPLA2G10CYP2A6ALDH1A1TDP2 | |
| SCHEMBL28885169 | 0.79 | NOTUM (0.47) | NOTUMPLA2G10CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28202823 | 0.78 | ALDH1A1 (0.50) | NOTUMPLA2G10ALDH1A1VCPTDP2 | |
| SCHEMBL28365266 | 0.78 | TDP2 (0.47) | NOTUMPLA2G10PLA2G2ACYP1A2TDP2 | |
| SCHEMBL28365129 | 0.77 | CYP19A1 (0.49) | NOTUMPLA2G10CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28369700 | 0.77 | NOTUM (0.50) | NOTUMPLA2G10ALDH1A1VCPTDP2 | |
| SCHEMBL28365593 | 0.72 | NOTUM (0.49) | NOTUMPLA2G10CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28365207 | 0.70 | KDM4E (0.47) | NOTUMPLA2G10ALDH1A1VCPCYP19A1 | |
| SCHEMBL13368077 | 0.68 | KDM4E (0.50) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A |
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 |