Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15011 | 0.93 | ALDH1A1 (0.44) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| 2,5-Xylidine SCHEMBL28278837 | 0.78 | ALDH1A1 (0.49) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| 2,5-Xylidine SCHEMBL33981 | 0.76 | ALDH1A1 (0.46) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| SCHEMBL9173074 | 0.74 | CASP1 (0.68) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| SCHEMBL29102567 | 0.74 | CD44 (0.68) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| 2,5-Xylidine SCHEMBL28081135 | 0.73 | ALDH1A1 (0.35) | TDP1ALDH1A1CD44CASP1 | |
| SCHEMBL6026377 | 0.73 | ALDH1A1 (0.71) | TDP1CYP3A4ALDH1A1TSHRCASP1 | |
| SCHEMBL6156968 | 0.71 | CASP1 (0.74) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| 2,5-Xylidine SCHEMBL11124717 | 0.70 | TDP1 (0.77) | TDP1CYP3A4ALDH1A1TSHRCD44 | |
| 2,5-Xylidine SCHEMBL9751765 | 0.69 | ALDH1A1 (0.63) | TDP1CYP3A4ALDH1A1TSHRCD44 |
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-4389510-A | Water soluble polyimide prepared from 1,2,3,4 butane tetracarboxylic acid and method of preparation | UNITED TECHNOLOGIES CORPORATION (US) | 1983-06-21 | — | — | US | disclosed |