Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 12/20 | 0.39 |
| ▸ | HTR2C | P28335 | 12/20 | 0.39 |
| ▸ | HTR2B | P41595 | 12/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24454244 | 0.81 | PIM1 (0.43) | HTR2AHTR2CHTR2BCCR1CCR5 | |
| SCHEMBL24454076 | 0.81 | PIM1 (0.43) | HTR2AHTR2CHTR2BCCR1CCR5 | |
| SCHEMBL4630938 | 0.74 | HTR2C (0.47) | HTR2AHTR2CHTR2B | |
| SCHEMBL1026043 | 0.70 | ADRB1 (0.59) | CCR1CCR5CCR8GRIN2DGRIN3B | |
| SCHEMBL30230278 | 0.70 | ADRB1 (0.59) | CCR1CCR5CCR8GRIN2DGRIN3B | |
| SCHEMBL1673206 | 0.69 | CHRNB2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL31061151 | 0.69 | ADRB1 (0.58) | CCR1CCR5CCR8GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL20339443 | 0.69 | ADRB1 (0.58) | CCR1CCR5CCR8GRIN2DGRIN3B | |
| SCHEMBL8662643 | 0.67 | HTR2C (0.33) | HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL4629662 | 0.67 | HTR2C (0.45) | HTR2AHTR2CHTR2BALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |