Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL292270 | 0.73 | CYP3A4 (1.00) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL330561 | 0.73 | CYP3A4 (0.65) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL1353155 | 0.73 | THRB (0.67) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| Hydrochloric Acid SCHEMBL8840292 | 0.71 | CYP3A4 (0.61) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL28421611 | 0.71 | CYP3A4 (0.61) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL8840260 | 0.71 | ALDH1A1 (0.61) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL23260119 | 0.69 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL2101809 | 0.69 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL22632969 | 0.69 | CYP3A4 (0.58) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL2927013 | 0.69 | CYP3A4 (0.58) | CYP3A4ALDH1A1THRBTSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| JP-61053387-A | — | — | None | — | — | JP | disclosed |
| JP-S6153387-A | PHOTOCHROMIC MATERIAL | NIPPON SHEET GLASS CO LTD | 1986-03-17 | — | — | JP | disclosed |