Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8879327 | 0.82 | CYP2A6 (0.43) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL29814587 | 0.73 | CYP2A6 (0.52) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL1436903 | 0.73 | CYP2A6 (0.52) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL31294509 | 0.72 | TSHR (0.46) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL68647 | 0.72 | TSHR (0.46) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL2409646 | 0.72 | TDP1 (0.42) | CYP2A6ALDH1A1TP53 | |
| SCHEMBL17796286 | 0.70 | CYP2A6 (0.48) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL1003188 | 0.70 | TSHR (0.50) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL31555022 | 0.69 | ENPP2 (0.48) | CYP2A6ALDH1A1FFAR1CA12CA2 | |
| SCHEMBL16958326 | 0.69 | CYP2A6 (0.43) | CYP2A6ALDH1A1FFAR1CA12CA2 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |