Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2724364 | 0.87 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL4637933 | 0.78 | TSHR (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL2723029 | 0.78 | TGFBR1 (0.33) | ALDH1A1 | |
| SCHEMBL29192563 | 0.77 | TSHR (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL2558765 | 0.76 | ZDHHC20 (0.38) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL29192529 | 0.76 | ZDHHC20 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL29192600 | 0.75 | TSHR (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL722292 | 0.73 | ZDHHC20 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL28400877 | 0.73 | ZDHHC20 (0.38) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL8765961 | 0.73 | TSHR (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 |
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-2012054569-A2 | NON-HOMOPOLYMERS EXHIBITING GAS HYDRATE INHIBITION, SALT TOLERANCE AND HIGH CLOUD POINT | ISP INVESTMENTS INC. (US) | 2012-04-26 | — | — | WO | claimed |