Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6681993 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL5373025 | 0.83 | CA1 (0.48) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL6677707 | 0.83 | MAPT (0.42) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL6678153 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL6678097 | 0.82 | ALDH1A1 (0.44) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL5375903 | 0.80 | CA1 (0.55) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL11794387 | 0.78 | CA1 (0.54) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL6934444 | 0.77 | ALDH1A1 (0.44) | ALDH1A1MAPTCA1KDM4EHPGD | |
| SCHEMBL6680298 | 0.76 | CA1 (0.37) | ALDH1A1MAPTKMT2ACA1KDM4E | |
| SCHEMBL6676360 | 0.76 | OPRL1 (0.44) | ALDH1A1MAPTCA1KDM4EHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1289514-B1 | USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2004-11-03 | — | — | EP | disclosed |