Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11637533 | 0.76 | CYP2C19 (0.44) | CYP2C19EPHX1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL7830236 | 0.76 | CYP2C19 (0.53) | CYP2C19EPHX1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL909284 | 0.76 | CYP2C19 (0.53) | CYP2C19EPHX1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8655841 | 0.75 | HTR1A (0.52) | CHRM1GAAALDH1A1TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL908468 | 0.74 | CYP2C19 (0.52) | CYP2C19EPHX1ALDH1A1MITFHTT | |
| SCHEMBL908467 | 0.74 | CYP2C19 (0.43) | CYP2C19EPHX1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL7457776 | 0.74 | CYP2D6 (0.44) | CHRM1GAAALDH1A1LMNA | |
| SCHEMBL28223379 | 0.73 | EPHX1 (0.59) | CYP2C19EPHX1SMN1; SMN2LMNAMAPK1 | |
| SCHEMBL7108946 | 0.72 | CHRM1 (0.40) | CHRM1GAAALDH1A1LMNATSHR | |
| SCHEMBL7458164 | 0.71 | CHRM1 (0.44) | CHRM1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0678090-B1 | PIPERAZINE DERIVATIVES | WYETH JOHN & BROTHER LTD (GB) | 1998-10-14 | — | — | EP | disclosed |
| US-5627177-A | Piperazine derivatives | JOHN WYETH & BROTHER, LTD. (GB) | 1997-05-06 | — | — | US | disclosed |
| EP-0678090-A1 | PIPERAZINE DERIVATIVES | JOHN WYETH & BROTHER LIMITED (GB) | 1995-10-25 | — | — | EP | disclosed |
| WO-1994015919-A1 | PIPERAZINE DERIVATIVES | JOHN WYETH & BROTHER LIMITED (GB) | 1994-07-21 | — | — | WO | disclosed |