Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GGT1 | P19440 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2267588 | 0.83 | ALDH1A1 (0.44) | NOS1NOS2ALDH1A1TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL7440809 | 0.80 | ALDH1A1 (0.42) | NOS1NOS2ALDH1A1TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5608594 | 0.80 | ALDH1A1 (0.42) | NOS1NOS2ALDH1A1TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5608598 | 0.80 | ALDH1A1 (0.42) | NOS1NOS2ALDH1A1TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL1731634 | 0.77 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL29795773 | 0.77 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL29819862 | 0.77 | TSHR (0.40) | ALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL31432697 | 0.77 | NOS1 (0.37) | NOS1NOS2ALDH1A1TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL22411252 | 0.77 | TSHR (0.33) | NOS1NOS2ALDH1A1TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL1731636 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945609-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007029036-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-03-15 | — | — | WO | disclosed |