Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2492358 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL2489521 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL15482446 | 0.81 | MGLL (0.46) | ALDH1A1TDP1TSHRMAPTGAA | |
| SCHEMBL2492127 | 0.78 | CYP2B6 (0.49) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL27293814 | 0.70 | ALDH1A1 (0.86) | ALDH1A1TDP1TSHRMAPTHPGD | |
| Catechol SCHEMBL10621943 | 0.67 | ALDH1A1 (0.77) | ALDH1A1TDP1TSHRMAPTHPGD | |
| Catechol SCHEMBL29002792 | 0.67 | ALDH1A1 (0.77) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL2490789 | 0.65 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRHPGDHSD17B10 | |
| SCHEMBL578112 | 0.65 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL2494378 | 0.64 | CYP2B6 (0.46) | ALDH1A1TDP1TSHRMAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2373660-A2 | 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS | Wista Laboratories Ltd. (SG) | 2011-10-12 | — | — | EP | disclosed |