Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.38 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21955653 | 0.84 | GSK3B (0.48) | GSK3BHSD11B1TACR1CYP2D6OPRL1 | |
| SCHEMBL18947319 | 0.81 | GSK3B (0.46) | GSK3BTACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3321343 | 0.79 | TACR1 (0.43) | HSD11B1TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3321346 | 0.79 | TACR1 (0.43) | HSD11B1TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4029062 | 0.79 | GSK3B (0.43) | GSK3BTACR1 | |
| SCHEMBL4029061 | 0.79 | GSK3B (0.43) | GSK3BTACR1 | |
| Hydrochloric Acid SCHEMBL14335191 | 0.78 | GSK3B (0.44) | GSK3BTACR1 | |
| SCHEMBL4024932 | 0.75 | SMN1; SMN2 (0.43) | GSK3B | |
| SCHEMBL4027421 | 0.75 | SMN1; SMN2 (0.43) | GSK3B | |
| SCHEMBL18947324 | 0.75 | GSK3B (0.41) | GSK3BTACR1OPRL1 |
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-1218359-A2 | PIPERAZINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001025219-A2 | PIPERAZINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2001-04-12 | — | — | WO | disclosed |