Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL15529922 | 0.86 | TDP1 (0.37) | ACHETDP1ALDH1A1MAPK1CYP1A2 | |
| SCHEMBL1031248 | 0.83 | TDP1 (0.38) | ACHETDP1ALDH1A1MAPK1CYP1A2 | |
| SCHEMBL15529622 | 0.81 | TDP1 (0.39) | ACHETDP1ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL1028129 | 0.80 | TDP1 (0.46) | ACHETDP1ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL1032393 | 0.80 | ACHE (0.67) | ACHETDP1ALDH1A1MAPK1CYP1A2 | |
| SCHEMBL15529913 | 0.77 | RAPGEF4 (0.33) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL15529912 | 0.75 | CYP2A6 (0.38) | ACHETDP1ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL15529559 | 0.71 | RAPGEF4 (0.39) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL15529624 | 0.71 | CYP1A2 (0.47) | ACHETDP1ALDH1A1MAPK1CYP1A2 | |
| P-Xylene SCHEMBL11760571 | 0.69 | ACHE (0.86) | ACHETDP1ALDH1A1MAPK1CYP1A2 |
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-2013167585-A2 | RECYCLING OF ORGANOTIN COMPOUNDS | UNIVERSITEIT ANTWERPEN (BE) | 2013-11-14 | — | — | WO | disclosed |