Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL28193581 | 0.89 | KCNA3 (0.62) | KCNA3TAAR1ALDH1A1RECQLHDAC1 | |
| SCHEMBL22809685 | 0.87 | KCNA3 (0.67) | KCNA3TAAR1ALDH1A1RECQLHDAC1 | |
| SCHEMBL835424 | 0.78 | MAOB (0.38) | KCNA3HDAC1HDAC2 | |
| SCHEMBL10188108 | 0.78 | ACACB (0.43) | KCNA3ALDH1A1HDAC1HDAC2LTA4H | |
| SCHEMBL10175 | 0.78 | TDP1 (0.50) | ALDH1A1LTA4H | |
| SCHEMBL1697810 | 0.78 | KDM4E (0.49) | ALDH1A1DRD2DRD4DRD3LTA4H | |
| SCHEMBL15004510 | 0.78 | DRD2 (0.50) | DRD2DRD4DRD3 | |
| SCHEMBL1754085 | 0.77 | KCNA3 (0.58) | KCNA3TAAR1ALDH1A1RECQLHDAC1 | |
| SCHEMBL27962 | 0.77 | KCNA3 (0.82) | KCNA3TAAR1ALDH1A1RECQLHDAC1 | |
| SCHEMBL27877052 | 0.77 | LTA4H (0.58) | DRD2DRD3LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| US-4476328-A | ALKYLATION OF PHENOL WITH TRIFLUOROPROPENE | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1984-10-09 | — | — | US | disclosed |
| US-4451674-A | Substituted benzene derivatives having at least one benzene ring substituted by 3,3,3-trifluoropropyl group and process for their production | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1984-05-29 | — | — | US | disclosed |