Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.62 |
| ▸ | MAOB | P27338 | 7/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3575088 | 0.85 | MAOA (0.58) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL4152929 | 0.85 | MAOA (0.58) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL5543437 | 0.84 | MAOA (0.66) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL3426399 | 0.84 | MAOA (0.57) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL30724528 | 0.82 | MAOA (0.64) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL8716037 | 0.81 | MAOA (0.62) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL2559958 | 0.81 | MAOA (0.62) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL22322063 | 0.81 | MAOA (0.62) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL8374655 | 0.81 | MAOA (0.62) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL5315248 | 0.81 | MAOA (0.62) | MAOAMAOBNPC1RAB9ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1984377-A2 | INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH | Signal Pharmaceuticals LLC (US) | 2008-10-29 | — | — | EP | disclosed |
| EP-1917269-A2 | INHIBITORS OF SERINE PROTEASES | Vertex Pharmaceuticals Incorporated (US) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007084560-A2 | INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-07-26 | — | — | WO | disclosed |
| WO-2007025307-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-03-01 | — | — | WO | disclosed |