Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.76 |
| ▸ | TSHR | P16473 | 4/20 | 0.76 |
| ▸ | TP53 | P04637 | 3/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.76 |
| ▸ | NPC1 | O15118 | 3/20 | 0.76 |
| ▸ | RAB9A | P51151 | 2/20 | 0.76 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | HPGD | P15428 | 4/20 | 0.74 |
| ▸ | POLB | P06746 | 2/20 | 0.74 |
| ▸ | USP2 | O75604 | 1/20 | 0.74 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL28207475 | 0.90 | TRPV1 (0.76) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL28206921 | 0.88 | KDM4E (0.92) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL28206905 | 0.86 | TRPV1 (0.74) | KDM4ETSHRTP53ALDH1A1HPGD | |
| SCHEMBL28955062 | 0.85 | TRPV1 (0.75) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL28207469 | 0.84 | NPC1 (0.74) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL28206934 | 0.84 | TRPV1 (0.63) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL28206945 | 0.83 | TRPV1 (0.75) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL10757593 | 0.82 | CYP2C9 (0.83) | TSHRNPC1RAB9AALDH1A1POLB | |
| SCHEMBL28857666 | 0.81 | TRPV1 (0.71) | KDM4ETSHRTP53HSD17B10NPC1 | |
| SCHEMBL10760683 | 0.81 | ALDH1A1 (1.00) | KDM4ETSHRTP53HSD17B10ALDH1A1 |
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-107721919-A | Phenylchinoline class TRPV1 antagonists and its preparation method and application | 中国药科大学 | 2018-02-23 | — | — | CN | disclosed |