Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610391 | 1.00 | TRPV1 (0.49) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL16610369 | 0.84 | TRPV1 (0.60) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL28012613 | 0.84 | TRPV1 (0.60) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL28012612 | 0.83 | TRPV1 (0.50) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL16610365 | 0.83 | TRPV1 (0.50) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL16610340 | 0.83 | TRPV1 (0.49) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL16610410 | 0.80 | TRPV1 (0.57) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL28663853 | 0.80 | TRPV1 (0.57) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL16610412 | 0.80 | KDM4E (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL16610366 | 0.78 | TRPV1 (0.46) | TRPV1ALDH1A1KDM4ECYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104513172-A | Trifluoromethyl-containing amide alkaloids, and preparation method and drug use thereof | TASLY PHARMACEUTICAL GROUP CO | 2015-04-15 | — | — | CN | claimed |
| CN-104513172-A | Trifluoromethyl-containing amide alkaloids, and preparation method and drug use thereof | TASLY PHARMACEUTICAL GROUP CO | 2015-04-15 | — | — | CN | disclosed |