Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 8/20 | 0.57 |
| ▸ | DRD2 | P14416 | 6/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28317359 | 0.88 | HRH4 (0.57) | DRD3DRD2HRH4HTR6MAPKAPK2 | |
| SCHEMBL7614813 | 0.85 | ALOX5 (0.48) | DRD3DRD2HRH4HTR6MAPKAPK2 | |
| SCHEMBL2782336 | 0.83 | CYP2A6 (0.58) | CYP2A6CYP2E1CYP2B6 | |
| SCHEMBL31025635 | 0.81 | AR (0.55) | MEN1KMT2ACYP2A6CYP2E1CYP2B6 | |
| SCHEMBL13118688 | 0.79 | ADRB1 (0.50) | ADRB1CYP2A6CYP2E1CYP2B6LMNA | |
| SCHEMBL7105773 | 0.77 | ADRB1 (0.70) | ADRB1MEN1KMT2AMAPTPOLB | |
| SCHEMBL10063748 | 0.77 | ADRB1 (0.70) | ADRB1MEN1KMT2AMAPTPOLB | |
| SCHEMBL3414344 | 0.77 | ADRB1 (0.70) | ADRB1MEN1KMT2AMAPTPOLB | |
| SCHEMBL7607579 | 0.76 | HTR7 (0.59) | ADRB1MEN1KMT2AMAPTPOLB | |
| SCHEMBL17672137 | 0.73 | GPR119 (0.63) | MEN1KMT2AMAPTLMNA |
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-1210340-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS | Boehringer Ingelheim Pharma KG (DE) | 2002-06-05 | — | — | EP | disclosed |
| WO-2001014355-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-03-01 | — | — | WO | disclosed |