Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | USP36 | Q9P275 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26633294 | 0.82 | ADORA3 (0.51) | CYP1A2CYP2C9CYP2C19USP36SMN1; SMN2 | |
| SCHEMBL15553344 | 0.81 | BRAF (0.58) | CYP1A2CYP2C9CYP2C19SMN1; SMN2RECQL | |
| SCHEMBL4053608 | 0.80 | EPHX2 (0.61) | CYP1A2CYP2C9CYP2C19USP36SMN1; SMN2 | |
| SCHEMBL19678085 | 0.77 | KIT (0.56) | SMN1; SMN2BRAFALDH1A1MAPTNPSR1 | |
| SCHEMBL22648397 | 0.77 | RECQL (0.54) | CYP1A2SMN1; SMN2RECQLADORA3ADORA2A | |
| SCHEMBL4053993 | 0.76 | MAPT (0.62) | CYP1A2CYP2C9CYP2C19SMN1; SMN2BRAF | |
| SCHEMBL4057629 | 0.76 | NPC1 (0.61) | SMN1; SMN2ADORA3ALDH1A1MAPT | |
| SCHEMBL19668020 | 0.76 | RAB9A (0.51) | SMN1; SMN2L3MBTL1RECQLADORA3ADORA2A | |
| SCHEMBL30412355 | 0.76 | KDR (0.70) | NPSR1CA1CA2CA9 | |
| SCHEMBL19668006 | 0.76 | KDR (0.70) | NPSR1CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |