Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7384656 | 1.00 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1MAPK1HTTRAB9A | |
| SCHEMBL3591284 | 0.84 | L3MBTL1 (0.44) | ALDH1A1L3MBTL1MAPK1HTTRAB9A | |
| SCHEMBL3591287 | 0.84 | L3MBTL1 (0.44) | ALDH1A1L3MBTL1MAPK1HTTRAB9A | |
| SCHEMBL18776419 | 0.78 | IDO1 (0.53) | ALDH1A1HTTRAB9AMAPTHTR2A | |
| SCHEMBL8849150 | 0.77 | IDO1 (0.56) | ALDH1A1HTTRAB9AMAPTHTR2A | |
| SCHEMBL8849145 | 0.77 | IDO1 (0.56) | ALDH1A1HTTRAB9AMAPTHTR2A | |
| SCHEMBL6141208 | 0.76 | HTR2A (0.64) | ALDH1A1L3MBTL1MAPK1HTTRAB9A | |
| SCHEMBL4567587 | 0.76 | MAOB (0.59) | ALDH1A1HTTRAB9AMAPTHTR2A | |
| SCHEMBL10730559 | 0.75 | RAB9A (0.51) | ALDH1A1HTTRAB9AMAOB | |
| SCHEMBL10730567 | 0.75 | RAB9A (0.51) | ALDH1A1HTTRAB9AMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144825-B1 | CYCLIC GUANIDINYL THIO CARBAPENEMS | MERCK & CO. INC. (US) | 1989-07-05 | — | — | EP | disclosed |
| US-4717728-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1988-01-05 | — | — | US | disclosed |
| EP-0144825-A1 | Cyclic guanidinyl thio carbapenems | MERCK & CO. INC. (US) | 1985-06-19 | — | — | EP | disclosed |