Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12538871 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9ICAM1KDR | |
| SCHEMBL4297933 | 0.84 | KDR (0.56) | CYP3A4CYP2D6CYP2C9ICAM1KDR | |
| SCHEMBL12606994 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9ICAM1KDR | |
| SCHEMBL8038019 | 0.80 | MC4R (0.51) | ALDH1A1KDM4ELMNA | |
| SCHEMBL21158864 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL4553879 | 0.80 | CXCR4 (0.50) | ICAM1ALDH1A1SMN1; SMN2 | |
| SCHEMBL15450881 | 0.78 | PIK3R1 (0.53) | CYP3A4CYP2D6CYP2C9ICAM1KDR | |
| SCHEMBL15450908 | 0.77 | HRH3 (0.57) | CYP2D6ICAM1KDRALDH1A1LTA4H | |
| SCHEMBL4757117 | 0.77 | ALDH1A1 (0.46) | KDRALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15829985 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4ERECQLSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8993580-B2 | Benzothiazole kinase inhibitors and methods of use | INTELLIKINE LLC (US) | 2015-03-31 | — | — | US | disclosed |