Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027001 | 0.84 | IDO1 (0.55) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL4672168 | 0.80 | LMNA (0.52) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL3500189 | 0.78 | MAP4K4 (0.49) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL29461217 | 0.78 | ADORA2A (0.56) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL2329610 | 0.78 | ADORA2A (0.56) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL2183379 | 0.77 | IDO1 (0.44) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL25070215 | 0.77 | ADORA2A (0.54) | IDO1CCNCCDK8ADORA2AADORA1 | |
| SCHEMBL28513304 | 0.76 | IDO1 (0.39) | IDO1CCNCCDK8RECQLLOX | |
| SCHEMBL28582294 | 0.75 | IDO1 (0.44) | IDO1 | |
| SCHEMBL2156031 | 0.75 | DYRK1A (0.56) | CCNCCDK8CDC7ROCK2MAP4K4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101193635-A | Multicyclic compounds and methods of their use | LEXICON GENETICS INC (US) | 2008-06-04 | — | — | CN | claimed |
| CN-102395585-A | Heteroaryls and their use as pi3k inhibitors | MILLENNIUM PHARM INC | 2012-03-28 | — | — | CN | disclosed |
| CN-101193635-A | Multicyclic compounds and methods of their use | LEXICON GENETICS INC (US) | 2008-06-04 | — | — | CN | disclosed |