Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24921791 | 0.76 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMPD3NISCHMTOR | |
| SCHEMBL20595289 | 0.73 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMPD3NISCHMTOR | |
| SCHEMBL5189834 | 0.73 | NISCH (0.42) | ALDH1A1KDM4ENISCHMTORADK | |
| SCHEMBL20595284 | 0.73 | NISCH (0.42) | ALDH1A1KDM4ENISCHMTORADK | |
| SCHEMBL23370194 | 0.72 | NISCH (0.41) | ALDH1A1KDM4ESMPD3NISCHMTOR | |
| SCHEMBL23772037 | 0.72 | NISCH (0.44) | ALDH1A1KDM4ESMPD3NISCHMTOR | |
| SCHEMBL24910869 | 0.72 | NISCH (0.41) | ALDH1A1KDM4ESMPD3NISCHMTOR | |
| SCHEMBL9026316 | 0.70 | NISCH (0.50) | ALDH1A1KDM4ESMPD3NISCHMTOR | |
| SCHEMBL29524578 | 0.69 | KMT2A (0.50) | ALDH1A1KDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL15483941 | 0.69 | KMT2A (0.50) | ALDH1A1KDM4EMEN1KMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008150899-A1 | COMBINATION THERAPIES FOR TREATMENT OF CANCER AND INFLAMMATORY DISEASES | EMORY UNIVERSITY (US) | 2008-12-11 | — | — | WO | claimed |
| WO-2008150899-A1 | COMBINATION THERAPIES FOR TREATMENT OF CANCER AND INFLAMMATORY DISEASES | EMORY UNIVERSITY (US) | 2008-12-11 | — | — | WO | disclosed |