Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 4/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19625347 | 0.87 | COMT (0.39) | CNR2COMTCNR1MAPTGAA | |
| SCHEMBL6565664 | 0.81 | GAA (0.56) | TTRMAPTGAAKDM4EALDH1A1 | |
| SCHEMBL13650700 | 0.81 | CYP1A2 (0.53) | MAPTKDM4EABL1ALOX5VCP | |
| SCHEMBL6568655 | 0.78 | CNR2 (0.50) | CNR2TTRCNR1MAPTGAA | |
| SCHEMBL19625313 | 0.77 | ABL1 (0.55) | CNR2COMTCNR1MAPTALDH1A1 | |
| SCHEMBL19625311 | 0.75 | MAPT (0.50) | MAPTGAAKDM4EALDH1A1RECQL | |
| SCHEMBL19625348 | 0.75 | COMT (0.34) | COMTMAPTALDH1A1ALOX5MEN1 | |
| SCHEMBL12282347 | 0.75 | LTA4H (0.58) | COMTMAPTGAAKDM4EALDH1A1 | |
| SCHEMBL799889 | 0.75 | RAB9A (0.56) | MAPTGAAKDM4EALDH1A1POLB | |
| SCHEMBL19625338 | 0.74 | ABL1 (0.55) | CNR2COMTMAPTKDM4EALDH1A1 |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |