Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.47 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10349072 | 0.82 | TDP1 (0.57) | MAPTNPC1CYP1A2CYP1B1 | |
| SCHEMBL3420024 | 0.81 | APP (0.47) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL78426 | 0.79 | RELA (0.62) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL29462468 | 0.79 | RELA (0.62) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL6552210 | 0.79 | RELA (0.62) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL78427 | 0.79 | RELA (0.62) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL29966677 | 0.79 | RELA (0.62) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL7975563 | 0.77 | PTPN1 (0.46) | PTPN1CYP3A4RELAMEN1NPC1 | |
| SCHEMBL16198413 | 0.77 | APP (0.69) | PTPN1APPMAPTCYP3A4RELA | |
| SCHEMBL16198414 | 0.77 | APP (0.69) | PTPN1APPMAPTCYP3A4RELA |
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-0023593-B1 | DIHYDRONICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND USE | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-02-16 | — | — | EP | disclosed |
| EP-0023593-A1 | Dihydronicotinic acid derivatives, their preparation and use | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-02-11 | — | — | EP | disclosed |