Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11717050 | 0.92 | MEN1 (0.52) | TRPV1ALDH1A1LMNANPC1MITF | |
| SCHEMBL11711138 | 0.92 | TRPV1 (0.60) | TRPV1CA1CA2CA9CA14 | |
| SCHEMBL11714309 | 0.92 | MEN1 (0.55) | TRPV1ALDH1A1LMNANPC1MITF | |
| SCHEMBL11718145 | 0.92 | ALDH1A1 (0.59) | TRPV1CA1CA2CA9CA14 | |
| SCHEMBL11711185 | 0.88 | NPC1 (0.48) | TRPV1ALDH1A1LMNANPC1MITF | |
| SCHEMBL11714359 | 0.86 | ALDH1A1 (0.54) | TRPV1CA1CA2CA9CA14 | |
| SCHEMBL11715316 | 0.86 | ALDH1A1 (0.53) | TRPV1CA1CA2CA9CA14 | |
| SCHEMBL11715456 | 0.86 | ALDH1A1 (0.53) | TRPV1CA1CA2CA9CA14 | |
| SCHEMBL11710612 | 0.85 | LMNA (0.47) | TRPV1ALDH1A1LMNANPC1MITF | |
| SCHEMBL11718118 | 0.84 | TRPV1 (0.64) | TRPV1CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| US-4001244-A | 1-ARYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINE CARBONYL CHLORIDES | G. D. SEARLE & CO. (US) | 1977-01-04 | — | — | US | disclosed |