Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 4/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4975348 | 1.00 | DPP4 (0.42) | DPP4DPP7KDM4EALDH1A1HPGD | |
| SCHEMBL4972425 | 0.86 | DPP4 (0.41) | DPP4DPP7KDM4EALDH1A1HPGD | |
| SCHEMBL5508506 | 0.85 | CHRM3 (0.46) | KDM4EHPGDSMN1; SMN2KMT2A | |
| SCHEMBL5508508 | 0.85 | CHRM3 (0.46) | KDM4EHPGDSMN1; SMN2KMT2A | |
| SCHEMBL27689759 | 0.85 | CHRM3 (0.46) | KDM4EHPGDSMN1; SMN2KMT2A | |
| SCHEMBL3968379 | 0.85 | HPGD (0.42) | ALDH1A1HPGDSMN1; SMN2REN | |
| SCHEMBL971537 | 0.85 | ALDH1A1 (0.44) | DPP4DPP7KDM4EALDH1A1OPRM1 | |
| SCHEMBL3317847 | 0.85 | ALDH1A1 (0.44) | DPP4DPP7KDM4EALDH1A1OPRM1 | |
| SCHEMBL3317851 | 0.85 | ALDH1A1 (0.44) | DPP4DPP7KDM4EALDH1A1OPRM1 | |
| SCHEMBL971535 | 0.85 | ALDH1A1 (0.44) | DPP4DPP7KDM4EALDH1A1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101356156-B | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| CN-101356156-A | Aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2009-01-28 | — | — | CN | disclosed |
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |