Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7249863 | 0.75 | POLB (0.46) | CYP1A2KDM4EKMT2AALDH1A1 | |
| SCHEMBL21998138 | 0.70 | MME (0.33) | CYP1A2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL15012265 | 0.70 | KDM4E (0.39) | CYP1A2KDM4EKMT2AALDH1A1 | |
| SCHEMBL7249055 | 0.66 | KDM4E (0.38) | CYP1A2KDM4EKMT2AALDH1A1TSHR | |
| SCHEMBL22893960 | 0.64 | OPRM1 (0.38) | CYP1A2KDM4EKMT2AALDH1A1 | |
| SCHEMBL17735919 | 0.61 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL17735928 | 0.61 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL18934853 | 0.61 | CYP1A2 (0.47) | CYP1A2KDM4EKMT2ACHRM5CHRM3 | |
| SCHEMBL7370030 | 0.61 | KDM4E (0.40) | CYP1A2KDM4EKMT2A | |
| SCHEMBL6619497 | 0.60 | — | — |
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 |