Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723522 | 0.84 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AL3MBTL1CYP2C9 | |
| SCHEMBL3324359 | 0.84 | KDM2B (0.69) | ALDH1A1KDM4EMGLLL3MBTL1KDM2B | |
| SCHEMBL3963250 | 0.84 | HPGD (0.56) | ALDH1A1MEN1KMT2AHSD11B1HPGD | |
| SCHEMBL3966828 | 0.84 | KDM2B (0.69) | ALDH1A1KDM4EMGLLL3MBTL1KDM2B | |
| SCHEMBL3895577 | 0.83 | HSD11B1 (0.69) | MEN1KMT2AHSD11B1TDP1MGLL | |
| Hydrochloric Acid SCHEMBL6998897 | 0.83 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2AL3MBTL1CYP2C9 | |
| SCHEMBL5476575 | 0.83 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2A | |
| SCHEMBL5476573 | 0.83 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2A | |
| SCHEMBL969182 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2A | |
| SCHEMBL5475032 | 0.82 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2A |
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 6 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 |
| EP-2074108-A1 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2009-07-01 | — | — | EP | 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-2008036247-A1 | 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 |