Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10872111 | 0.99 | HTR2A (0.33) | HTR2AHTR2CHTR2BKCNH2HTR1A | |
| SCHEMBL10866919 | 0.92 | HTR2A (0.34) | HTR2AHTR2CHTR2BKCNH2HTR1A | |
| Hydrochloric Acid SCHEMBL10868040 | 0.91 | HTR2A (0.34) | HTR2AHTR2CHTR2BHTR1A | |
| Hydrochloric Acid SCHEMBL10867337 | 0.80 | SMN1; SMN2 (0.47) | HTR2AHTR1ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10867747 | 0.80 | MPO (0.53) | KCNH2HTR1ACYP3A4 | |
| SCHEMBL10867330 | 0.80 | MTNR1A (0.45) | HTR2AKCNH2HTR1A | |
| SCHEMBL10866637 | 0.80 | SLC6A4 (0.49) | HTR2AHTR1A | |
| SCHEMBL10868220 | 0.79 | HTR2A (0.56) | HTR2AHTR2BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL10867978 | 0.77 | HPGD (0.33) | HTR2AHTR2CHTR2BKCNH2HTR1A | |
| SCHEMBL10868177 | 0.76 | HTR2A (0.52) | HTR2AHTR1ACYP1A2CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0187122-A2 | 1,3,4-Trisubstituted azacycloalkanes or azacycloalkenes | CIBA-GEIGY AG (CH) | 1986-07-09 | — | — | EP | claimed |