Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15529912 | 0.81 | CYP2A6 (0.38) | CYP1A2CYP2A6ALDH1A1TSHRTDP1 | |
| SCHEMBL1028129 | 0.79 | TDP1 (0.46) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL15529529 | 0.77 | CYP2A6 (0.50) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL1031248 | 0.74 | TDP1 (0.38) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL15529922 | 0.72 | TDP1 (0.37) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL15529720 | 0.71 | ACHE (0.48) | CYP1A2CYP2A6ALDH1A1TDP1MAPT | |
| SCHEMBL8105948 | 0.69 | MAOA (0.53) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL1029428 | 0.69 | ALDH1A1 (0.43) | CYP1A2CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL15529622 | 0.67 | TDP1 (0.39) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL5494664 | 0.67 | CYP2A6 (0.70) | CYP1A2CYP2A6ALDH1A1TSHRHPGD |
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 |