Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847986 | 0.91 | MAOB (0.54) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL3847989 | 0.91 | MAOB (0.54) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL7121267 | 0.89 | NFE2L2 (0.45) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL7121300 | 0.89 | HDAC2 (0.46) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL7130620 | 0.89 | HDAC2 (0.46) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL2622600 | 0.86 | APP (0.50) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL10137941 | 0.83 | APP (0.55) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL1882464 | 0.80 | ALDH1A1 (0.61) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL9679616 | 0.80 | ALDH1A1 (0.61) | CYP2C19ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL391122 | 0.80 | ALDH1A1 (0.61) | CYP2C19ALDH1A1HPGDKDM4ERAB9A |
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-6667346-B2 | Administration of a radioprotective alpha, beta unsaturated aryl sulfone compound to a patient prior to anticancer radiotherapy reduces cytotoxic side effects of radiation on normal cells | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2003-12-23 | — | — | US | disclosed |