Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 3/20 | 0.33 |
| ▸ | LATS2 | Q9NRM7 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8440253 | 0.87 | CHRM5 (0.38) | CYP2A6CHRM5CHKAMAPTSMN1; SMN2 | |
| SCHEMBL8039461 | 0.84 | MAPT (0.39) | CYP2A6CHRM5CHKAMAPTSMN1; SMN2 | |
| SCHEMBL31751996 | 0.83 | CYP2A6 (0.47) | CYP2A6CHRM5CHKAMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8039050 | 0.83 | MAPT (0.38) | CYP2A6CHRM5CHKAMAPTSMN1; SMN2 | |
| SCHEMBL8440389 | 0.80 | CYP2A6 (0.40) | CYP2A6CHRM5CHKALATS1LATS2 | |
| SCHEMBL8442574 | 0.78 | CYP2A6 (0.41) | CYP2A6CHRM5CHKASMN1; SMN2 | |
| SCHEMBL8438931 | 0.78 | CYP2A6 (0.41) | CYP2A6LATS1LATS2 | |
| SCHEMBL8051671 | 0.76 | GRM1 (0.34) | CHRM5CHKAMAPTSMN1; SMN2 | |
| SCHEMBL8054092 | 0.76 | CHKA (0.44) | CYP2A6CHRM5CHKAMAPTPTGS2 | |
| SCHEMBL8051689 | 0.76 | GAK (0.40) | CHRM5CHKAMAPT |
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 |