Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 3/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6770531 | 0.87 | MEN1 (0.40) | OPRM1DHODHSRCHPGDALDH1A1 | |
| SCHEMBL6772794 | 0.87 | CCNA2 (0.40) | OPRM1DHODHBTKNAAANPBWR1 | |
| SCHEMBL6769818 | 0.87 | OPRM1 (0.34) | OPRM1DHODHNPBWR1MCHR1MEN1 | |
| SCHEMBL6771211 | 0.83 | MEN1 (0.34) | OPRM1DHODHSRCALDH1A1MEN1 | |
| SCHEMBL6770141 | 0.82 | PTGS1 (0.41) | OPRM1DHODHNPBWR1MCHR1HPGD | |
| SCHEMBL7537240 | 0.81 | OPRM1 (0.58) | OPRM1DHODHSRCMAPT | |
| SCHEMBL6770382 | 0.80 | MEN1 (0.34) | OPRM1NPBWR1MCHR1ALDH1A1GAA | |
| SCHEMBL6767179 | 0.80 | POLB (0.35) | OPRM1DHODHHPGDALDH1A1GAA | |
| SCHEMBL6766535 | 0.80 | DHODH (0.36) | OPRM1DHODHALDH1A1MEN1HTT | |
| SCHEMBL6771166 | 0.79 | OPRM1 (0.32) | OPRM1NPBWR1MCHR1MEN1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |