Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6998897 | 0.98 | ALDH1A1 (0.60) | ALDH1A1MAPK1MEN1KMT2AHSP90AA1 | |
| SCHEMBL968362 | 0.90 | CPB1 (0.59) | ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL21848101 | 0.90 | CPB1 (0.59) | ALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL5479680 | 0.89 | ALDH1A1 (0.62) | ALDH1A1MAPK1MEN1KMT2AHSP90AA1 | |
| SCHEMBL5582672 | 0.86 | ALDH1A1 (0.54) | ALDH1A1MAPK1MEN1KMT2AHSP90AA1 | |
| SCHEMBL3324359 | 0.84 | KDM2B (0.69) | ALDH1A1KDM2BLMNAL3MBTL1 | |
| SCHEMBL4082779 | 0.84 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AKDM2BCYP2C9 | |
| SCHEMBL15646173 | 0.84 | KLK7 (0.58) | ALDH1A1MAPK1MEN1KMT2AHSP90AA1 | |
| SCHEMBL3963250 | 0.84 | HPGD (0.56) | ALDH1A1MAPK1MEN1KMT2AMAPT | |
| SCHEMBL3966828 | 0.84 | KDM2B (0.69) | ALDH1A1KDM2BLMNAL3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101072561-B | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC | 2011-05-11 | — | — | CN | disclosed |
| WO-2010120889-A1 | TREATMENT OF METABOLIC SYNDROME WITH CYCLIC AMIDES | AMPLA PHARMACEUTICALS INC. (US) | 2010-10-21 | — | — | WO | disclosed |
| CN-101072561-A | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2007-11-14 | — | — | CN | disclosed |
| WO-2007117557-A2 | DIAMINOPROPANOL RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007117560-A2 | PIPERIDINE AND MORPHOLINE RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |
| EP-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |