Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8439457 | 0.89 | SLC6A2 (0.35) | ALDH1A1SLC6A2 | |
| SCHEMBL8439939 | 0.87 | SLC6A2 (0.35) | ALDH1A1L3MBTL1HSP90AA1MAPTMAPK1 | |
| SCHEMBL8440150 | 0.81 | CHRM5 (0.36) | L3MBTL1NPC1MAPK14HSP90AA1MAPT | |
| SCHEMBL8056316 | 0.80 | SLC6A2 (0.38) | ALDH1A1MAPK14MAPTSLC6A2 | |
| Hydrochloric Acid SCHEMBL8039091 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPK14MAPTSLC6A2 | |
| SCHEMBL9004605 | 0.78 | IRAK4 (0.33) | ALDH1A1L3MBTL1NPC1HSP90AA1MAPK1 | |
| SCHEMBL8306498 | 0.78 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1NPC1HSP90AA1MAPT | |
| SCHEMBL8442576 | 0.76 | NSD2 (0.36) | ALDH1A1L3MBTL1NPC1KDM4ERAB9A | |
| SCHEMBL8435887 | 0.74 | LATS1 (0.38) | CHRM5CHKA | |
| SCHEMBL8440389 | 0.74 | CYP2A6 (0.40) | SLC6A2CHRM5CHKA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5856335-A | GLYCINE PARTIAL AGONISTS. | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-05 | — | — | US | disclosed |
| US-5519032-A | ANTIDEPRESSANTS, ANXIOLYTICS, ANTIEMETICS, ANTIPSYCHOTIC | HOECHST MARION ROUSSEL INC. (US) | 1996-05-21 | — | — | US | disclosed |
| EP-0581106-A1 | Substituted aminothienopyridines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-02-02 | — | — | EP | disclosed |
| US-5252581-A | Modulators of neurotransmitters | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-10-12 | — | — | US | disclosed |