Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCH | P24723 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11967103 | 1.00 | TSHR (0.44) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL29776832 | 1.00 | TSHR (0.44) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL972607 | 1.00 | TSHR (0.44) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL28272375 | 1.00 | TSHR (0.44) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL10526307 | 1.00 | TSHR (0.44) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL29776834 | 1.00 | TSHR (0.44) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL22296672 | 0.98 | ACE2 (0.47) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL7950449 | 0.98 | TSHR (0.46) | TSHRACE2OPRM1SPHK1LMNA | |
| SCHEMBL4202857 | 0.91 | — | — | |
| SCHEMBL4202851 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558468-A1 | 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES | Array Biopharma, Inc. (US) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011130146-A1 | 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES | ARRAY BIOPHARMA INC. (US) | 2011-10-20 | — | — | WO | disclosed |
| EP-0963194-A1 | NITRILE PERFUMERY MATERIAL | Bush Boake Allen Inc. (US) | 1999-12-15 | — | — | EP | disclosed |
| WO-1999026601-A1 | NITRILE PERFUMERY MATERIAL | BUSH BOAKE ALLEN INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| US-5888962-A | CONTAINING 3-METHYL-5-(PHENYL OR CYCLOHEXYL)-PENTANENITRILE | BUSH BOAKE ALLEN INC. (US) | 1999-03-30 | — | — | US | disclosed |