Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.43 |
| ▸ | VCP | P55072 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28368799 | 0.84 | NOTUM (0.46) | CYP19A1VCPCYP1A2CYP2A6NOTUM | |
| SCHEMBL28365207 | 0.83 | KDM4E (0.47) | CYP19A1VCPNOTUMKDM4ENPC1 | |
| SCHEMBL28202823 | 0.82 | ALDH1A1 (0.50) | CYP19A1VCPNOTUMPOLBKDM4E | |
| SCHEMBL28365057 | 0.81 | CYP19A1 (0.46) | CYP19A1VCPCYP1A2CYP2A6NOTUM | |
| SCHEMBL28369113 | 0.81 | CYP19A1 (0.52) | CYP19A1VCPNOTUMPLA2G10ALDH1A1 | |
| SCHEMBL28369134 | 0.80 | BIRC5 (0.44) | CYP19A1VCPNOTUMPOLBKDM4E | |
| SCHEMBL28368802 | 0.79 | CYP19A1 (0.48) | CYP19A1CYP1A2CYP2A6NOTUMALDH1A1 | |
| SCHEMBL28365347 | 0.77 | NOTUM (0.40) | CYP19A1VCPNOTUMKDM4EPLA2G10 | |
| SCHEMBL28365059 | 0.75 | MDM2 (0.40) | CYP19A1VCPPLA2G10ALDH1A1TSHR | |
| SCHEMBL13456060 | 0.75 | HDAC10 (0.40) | VCPCYP1A2CYP2A6NOTUMPOLB |
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 |