Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.57 |
| ▸ | HTR2C | P28335 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | HTR6 | P50406 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | HTR1D | P28221 | 1/20 | 0.57 |
| ▸ | HTR1B | P28222 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11785003 | 0.94 | CHRM1 (0.58) | HTR2ACYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL7766399 | 0.81 | HTR2A (0.49) | HTR2AHTR2CHTR7HTR6SLC6A4 | |
| SCHEMBL14318600 | 0.80 | HTR2A (0.81) | HTR2AHTR2CCYP1A2CYP3A4HTR7 | |
| SCHEMBL8947873 | 0.80 | HTR2A (0.56) | HTR2AHTR2CCYP1A2CYP3A4HTR7 | |
| SCHEMBL8948121 | 0.79 | HTR2A (0.57) | HTR2AHTR2CCYP1A2CYP3A4HTR1A | |
| SCHEMBL8018901 | 0.79 | HTR2A (0.78) | HTR2AHTR2CCYP1A2CYP3A4HTR1A | |
| Hydrochloric Acid SCHEMBL8025211 | 0.78 | HTR2A (0.60) | HTR2AHTR2CCYP1A2CYP3A4HTR1A | |
| SCHEMBL12124768 | 0.77 | DRD2 (0.75) | DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL8021166 | 0.77 | HTR2A (0.61) | HTR2AHTR2CCYP1A2CYP3A4HTR1A | |
| SCHEMBL29367143 | 0.77 | HTR2A (0.66) | HTR2AHTR2CCYP1A2CYP3A4HTR1A |
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-5534517-A | (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression | ADIR ET COMPAGNIE (FR) | 1996-07-09 | — | — | US | disclosed |
| US-5387586-A | Analgesics, nervous system disorders | ADIR ET COMPAGNIE (FR) | 1995-02-07 | — | — | US | disclosed |
| EP-0613898-A1 | Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-09-07 | — | — | EP | disclosed |