Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3913356 | 0.94 | HTR2C (0.45) | HTR2CALDH1A1KCNA3MAOBMCL1 | |
| Trifluoroacetic Acid SCHEMBL3923252 | 0.93 | KCNA3 (0.46) | HTR2CALDH1A1KCNA3MAOBMCL1 | |
| Trifluoroacetic Acid SCHEMBL3925125 | 0.92 | KCNA3 (0.45) | HTR2CALDH1A1KCNA3MAOBMCL1 | |
| SCHEMBL3915228 | 0.89 | KCNA3 (0.47) | ALDH1A1KCNA3MAOBTSHR | |
| Trifluoroacetic Acid SCHEMBL3910499 | 0.86 | ALDH1A1 (0.51) | HTR2CALDH1A1KCNA3MCL1KDM4E | |
| Trifluoroacetic Acid SCHEMBL3911993 | 0.85 | KCNA3 (0.60) | ALDH1A1KCNA3MAOBTSHR | |
| Trifluoroacetic Acid SCHEMBL3912558 | 0.84 | HTR2C (0.39) | HTR2CALDH1A1KCNA3MAOBMCL1 | |
| SCHEMBL3911254 | 0.83 | KCNA3 (0.49) | ALDH1A1KCNA3MAOBMCL1TSHR | |
| Trifluoroacetic Acid SCHEMBL3913747 | 0.82 | KCNA3 (0.44) | KCNA3 | |
| SCHEMBL3920121 | 0.82 | KCNA3 (0.51) | ALDH1A1KCNA3MAOBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1667988-B1 | COUMARINS AS INOS INHIBITORS | AVENTIS PHARMA INC (US) | 2013-04-10 | — | — | EP | disclosed |
| EP-1667988-A1 | COUMARINS AS INOS INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005026143-A1 | COUMARINS AS INOS INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-24 | — | — | WO | disclosed |