Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | FHIT | P49789 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2315456 | 1.00 | TSHR (0.34) | TSHRFHITSMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL1863540 | 0.85 | ALDH1A1 (0.33) | TSHRSMN1; SMN2ALDH1A1CYP3A4HPGD | |
| SCHEMBL25331993 | 0.84 | PTPN1 (0.31) | — | |
| SCHEMBL25331987 | 0.84 | PTPN1 (0.31) | — | |
| SCHEMBL21522434 | 0.83 | TSHR (0.31) | TSHR | |
| SCHEMBL2326706 | 0.82 | SPHK1 (0.45) | TSHRSMN1; SMN2EPHX2 | |
| SCHEMBL6918603 | 0.82 | SPHK1 (0.45) | TSHRSMN1; SMN2EPHX2 | |
| SCHEMBL2326704 | 0.82 | SPHK1 (0.45) | TSHRSMN1; SMN2EPHX2 | |
| SCHEMBL3213303 | 0.80 | — | — | |
| SCHEMBL3213291 | 0.80 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074108-B1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2012-11-21 | — | — | EP | disclosed |
| EP-2081927-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-2074108-A1 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008156832-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2008036247-A1 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |
| WO-2008036216-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |