Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7749748 | 0.90 | CYP2C9 (0.57) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| SCHEMBL7749751 | 0.90 | CYP2C9 (0.57) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8368672 | 0.89 | CYP2C9 (0.56) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8368674 | 0.89 | CYP2C9 (0.56) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL8763021 | 0.87 | SMN1; SMN2 (0.47) | ALDH1A1TSHRUSP2CA1CA2 | |
| Triaziquone SCHEMBL8763899 | 0.81 | TSHR (0.37) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL11291163 | 0.79 | FNTA (0.42) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL11291166 | 0.79 | FNTA (0.42) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| SCHEMBL28046501 | 0.78 | CYP2C9 (0.57) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 | |
| SCHEMBL28046500 | 0.78 | CYP2C9 (0.57) | CYP2C9ALDH1A1TSHRHTTL3MBTL1 |
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-0783517-A2 | THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO. INC. (US) | 1997-07-16 | — | — | EP | disclosed |