Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5381774 | 0.87 | AKR1B1 (0.52) | ALDH1A1PTGS1AKR1B1HTTGAA | |
| SCHEMBL27612280 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MAPK1PTGS1HTTLMNA | |
| SCHEMBL19475267 | 0.82 | AKR1B1 (0.56) | ALDH1A1PTGS1AKR1B1HTTGAA | |
| SCHEMBL28059688 | 0.81 | ALDH1A1 (0.58) | ALDH1A1MAPK1TSHRFOLH1HNF4A | |
| SCHEMBL27999561 | 0.80 | ALDH1A1 (0.52) | ALDH1A1PTGS1AKR1B1HTTGAA | |
| SCHEMBL2990732 | 0.80 | AKR1B1 (0.52) | PTGS1AKR1B1HTTGAAABCC4 | |
| SCHEMBL3802345 | 0.79 | LMNA (0.48) | ALDH1A1PTGS1AKR1B1HTTGAA | |
| SCHEMBL2392464 | 0.77 | PTGDR2 (0.50) | PTGS1AKR1B1HTTGAAABCC4 | |
| SCHEMBL14933420 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MAPK1TSHRFOLH1HNF4A | |
| SCHEMBL1919745 | 0.76 | DPP4 (0.56) | PTGS1AKR1B1HTTGAAABCC4 |
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-104860951-A | Modulators of 5-HT receptors and methods of use thereof | AbbVie Deutschland GmbH and Co KG | 2015-08-26 | — | — | CN | disclosed |