Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DYRK2 | Q92630 | 4/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13931134 | 0.82 | PTGS2 (0.43) | ALDH1A1HSD17B10KDM4EL3MBTL1LMNA | |
| SCHEMBL11000171 | 0.71 | AHR (0.43) | ALDH1A1KDM4ELMNAHPGDNPC1 | |
| SCHEMBL5437451 | 0.69 | MAPT (0.44) | ALDH1A1KDM4ELMNAHPGDKMT2A | |
| SCHEMBL2259811 | 0.69 | PTGS2 (0.45) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL6003729 | 0.68 | SIGMAR1 (0.38) | ALDH1A1KDM4ELMNAHPGDNPC1 | |
| SCHEMBL7347238 | 0.68 | PTGS2 (0.51) | ALDH1A1HSD17B10KDM4EL3MBTL1LMNA | |
| SCHEMBL4774013 | 0.68 | PGR (0.43) | LMNAPTGS2MAPTBRD9 | |
| SCHEMBL30083712 | 0.68 | MAPK9 (0.47) | ALDH1A1HSD17B10KDM4EL3MBTL1LMNA | |
| SCHEMBL20781168 | 0.68 | RAB9A (0.52) | ALDH1A1HSD17B10KDM4EL3MBTL1LMNA | |
| SCHEMBL28937845 | 0.68 | MAPK9 (0.47) | ALDH1A1HSD17B10KDM4EL3MBTL1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4529736-A | Antidepressant | AMERICAN CYANAMID COMPANY (US) | 1985-07-16 | — | — | US | disclosed |
| EP-0100426-A1 | 3a-(substituted-phenyl)-hexaloctahydro-4,7-alkanoisoindoles | AMERICAN CYANAMID COMPANY (US) | 1984-02-15 | — | — | EP | disclosed |