Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR1 | Q9GZQ6 | 6/20 | 0.51 |
| ▸ | NPFFR2 | Q9Y5X5 | 6/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3334062 | 0.81 | SIGMAR1 (0.61) | CYP2D6ALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL7248229 | 0.80 | NPFFR1 (0.60) | NPFFR1NPFFR2OPRK1 | |
| SCHEMBL6079469 | 0.79 | POLB (0.59) | ALDH1A1TSHRKMT2AMEN1OPRL1 | |
| SCHEMBL7249627 | 0.78 | MAPK1 (0.50) | NPFFR1NPFFR2OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL7251032 | 0.78 | NPFFR1 (0.56) | NPFFR1NPFFR2OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL4630842 | 0.77 | POLB (0.57) | NPFFR1NPFFR2OPRK1ALDH1A1TSHR | |
| SCHEMBL2524338 | 0.77 | CYP2D6 (0.57) | NPFFR1NPFFR2CYP2D6ALDH1A1TSHR | |
| SCHEMBL7253609 | 0.77 | CYP3A4 (0.49) | CYP2D6ALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL20571382 | 0.76 | CYP3A4 (0.54) | NPFFR1NPFFR2OPRK1CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4481783 | 0.76 | POLB (0.58) | NPFFR1NPFFR2CYP2D6ALDH1A1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045834-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-10-25 | — | — | EP | claimed |
| WO-1999031057-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-24 | — | — | WO | claimed |
| US-6545022-B1 | Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders | PFIZER INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1045834-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999031057-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-24 | — | — | WO | disclosed |