Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB8 | P28062 | 3/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7251038 | 0.86 | CTRB1 (0.44) | ALDH1A1CTSS | |
| SCHEMBL7249863 | 0.84 | POLB (0.46) | PSMB8PSMB5CNR2KMT2AALDH1A1 | |
| SCHEMBL7248698 | 0.77 | KMT2A (0.35) | KMT2AITGB3ITGA2BALDH1A1CYP2C9 | |
| SCHEMBL7249447 | 0.72 | ALDH1A1 (0.44) | KMT2AALDH1A1POLBMEN1CNR1 | |
| SCHEMBL7249473 | 0.72 | ANPEP (0.45) | KMT2AALDH1A1CYP2C9CYP2C19MEN1 | |
| SCHEMBL8109196 | 0.69 | PSMB8 (0.43) | PSMB8PSMB5CNR2KMT2AITGB3 | |
| SCHEMBL7247682 | 0.68 | MEN1 (0.33) | KMT2AALDH1A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25225127 | 0.68 | HTT (0.47) | CNR2KMT2AALDH1A1CTSLCYP2C9 | |
| SCHEMBL4746204 | 0.68 | USP2 (0.44) | KMT2AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9177734 | 0.68 | CNR2 (0.59) | PSMB8PSMB5CNR2KMT2ACYP1A2 |
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 |