Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 4/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 4/20 | 0.31 |
| ▸ | HRH1 | P35367 | 3/20 | 0.31 |
| ▸ | DRD4 | P21917 | 3/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946007 | 0.91 | ALDH1A1 (0.35) | ALDH1A1GAACRHR1HRH4HRH3 | |
| SCHEMBL8946140 | 0.84 | HTT (0.32) | ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL8945828 | 0.82 | HTT (0.31) | — | |
| SCHEMBL8945910 | 0.82 | ALDH1A1 (0.35) | ALDH1A1CRHR1LMNATP53TSHR | |
| SCHEMBL8946083 | 0.80 | CRHR1 (0.33) | CRHR1LMNATSHR | |
| SCHEMBL8945882 | 0.80 | — | — | |
| SCHEMBL9582965 | 0.78 | MAOB (0.40) | CTSD | |
| SCHEMBL8945957 | 0.76 | HTT (0.31) | CTSD | |
| Hydrochloric Acid SCHEMBL8945738 | 0.74 | HTT (0.30) | — | |
| SCHEMBL10574569 | 0.71 | MAOB (0.36) | ALDH1A1HRH4HRH3DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0322582-A2 | 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-07-05 | — | — | EP | disclosed |