Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 4/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL17527023 | 0.89 | RAPGEF4 (0.54) | RAPGEF4CYP3A4TSHRBRAFHDAC6 | |
| Hydrochloric Acid SCHEMBL17506804 | 0.88 | RAPGEF4 (0.53) | RAPGEF4CYP3A4TSHRBRAFHDAC6 | |
| SCHEMBL20269250 | 0.83 | CYP3A4 (0.57) | RAPGEF4CYP3A4TSHRBRAFHDAC6 | |
| SCHEMBL17506818 | 0.81 | ALDH1A1 (0.47) | CYP3A4TSHRMAPTEGFRGAA | |
| SCHEMBL17506797 | 0.81 | TDP1 (0.47) | CYP3A4TSHRMAPTGAAALDH1A1 | |
| SCHEMBL17538443 | 0.79 | TSHR (0.41) | CYP3A4TSHRMAPTGAAALDH1A1 | |
| SCHEMBL17538442 | 0.79 | ALOX15 (0.45) | CYP3A4TSHRMAPTGAAALDH1A1 | |
| SCHEMBL17506813 | 0.78 | CYP3A4 (0.55) | RAPGEF4CYP3A4TSHRBRAFHDAC6 | |
| SCHEMBL22102771 | 0.76 | CYP3A4 (0.53) | RAPGEF4CYP3A4TSHRBRAFHDAC6 | |
| SCHEMBL17506814 | 0.76 | CYP3A4 (0.52) | RAPGEF4CYP3A4TSHRBRAFHDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016020110-A1 | OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |