Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | LATS1 | O95835 | 6/20 | 0.35 |
| ▸ | LATS2 | Q9NRM7 | 5/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL8438931 | 0.89 | CYP2A6 (0.41) | CYP2A6LATS1LATS2KDM4CHTR6 | |
| SCHEMBL8435887 | 0.88 | LATS1 (0.38) | CYP2A6LATS1LATS2CHRM5CHKA | |
| SCHEMBL8440769 | 0.86 | LATS1 (0.38) | CYP2A6LATS1LATS2HTR6SLC6A2 | |
| SCHEMBL8056316 | 0.85 | SLC6A2 (0.38) | CYP2A6SLC6A2 | |
| Hydrochloric Acid SCHEMBL8039091 | 0.84 | ALDH1A1 (0.40) | CYP2A6SLC6A2 | |
| SCHEMBL8440409 | 0.80 | CYP2A6 (0.43) | CYP2A6LATS1LATS2CHRM5CHKA | |
| SCHEMBL8049764 | 0.78 | MAPK14 (0.33) | LATS1LATS2HTR6 | |
| SCHEMBL8050470 | 0.78 | ROCK1 (0.37) | CYP2A6CHKASLC6A2 | |
| SCHEMBL8436369 | 0.77 | SLC6A2 (0.37) | CYP2A6LATS1LATS2KDM4CSLC6A2 | |
| Hydrochloric Acid SCHEMBL8050473 | 0.77 | MAPK14 (0.33) | LATS1LATS2HTR6 |
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 |