Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.46 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16973911 | 0.85 | TDP1 (0.58) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL17865150 | 0.82 | ALDH1A1 (0.50) | CYP2A6CASP3CASP7KDM4EALDH1A1 | |
| SCHEMBL523707 | 0.80 | KLK5 (0.49) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL4386299 | 0.79 | ACACB (0.46) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL29868570 | 0.78 | CYP2A6 (0.52) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL4268270 | 0.78 | CYP2A6 (0.52) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL28197980 | 0.77 | KLK5 (0.47) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL27597715 | 0.76 | KLK5 (0.46) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL4353465 | 0.76 | KLK5 (0.51) | ACACBSSTR4SSTR1FFAR1TRPA1 | |
| SCHEMBL30223332 | 0.75 | TRPA1 (0.44) | SSTR4SSTR1FFAR1TRPA1CYP2A6 |
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-8202861-B2 | Drugs for various disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-19 | — | — | US | disclosed |