Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6141283 | 0.84 | HDAC3 (0.54) | TRPV1MAPTSMN1; SMN2RAB9AKMT2A | |
| SCHEMBL2377766 | 0.83 | ALDH1A1 (0.51) | TRPV1ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL28093948 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1ABCB1MAPTHTTSMN1; SMN2 | |
| SCHEMBL2714104 | 0.81 | TRPV1 (0.57) | TRPV1ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL27038864 | 0.81 | CA12 (0.53) | TRPV1ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL9607172 | 0.80 | EPHX2 (0.52) | TRPV1MAPTSMN1; SMN2RAB9AKMT2A | |
| SCHEMBL13019728 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1HSD17B10ABCB1MAPTHTT | |
| SCHEMBL850939 | 0.79 | ALDH1A1 (0.77) | TRPV1ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL9172082 | 0.78 | TRPV1 (0.58) | TRPV1ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL11434818 | 0.78 | TRPV1 (0.55) | TRPV1ALDH1A1TSHRHSD17B10MAPT |
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-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |
| CN-104520296-A | Pyrrolopyridinone derivatives as TTX-S blockers | RAQUALIA PHARMA INC | 2015-04-15 | — | — | CN | disclosed |