Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.61 |
| ▸ | PPARG | P37231 | 1/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.47 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9264373 | 0.99 | NR1H4 (0.60) | NR1H4EPHX2PPARGITGB3ITGA2B | |
| SCHEMBL7303034 | 0.90 | NR1H4 (0.54) | NR1H4EPHX2ITGB3ITGA2BITGB1 | |
| SCHEMBL7301840 | 0.86 | EPHX2 (0.48) | NR1H4EPHX2HDAC1HDAC6 | |
| SCHEMBL4109710 | 0.86 | FFAR1 (0.53) | NR1H4EPHX2ITGB3ITGA2BFFAR1 | |
| SCHEMBL7450519 | 0.85 | PPARG (0.65) | NR1H4EPHX2PPARGITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL9273383 | 0.85 | NR1H4 (0.47) | NR1H4EPHX2HDAC1HDAC6 | |
| SCHEMBL17894494 | 0.85 | HDAC1 (0.59) | NR1H4EPHX2TPSAB1HDAC1HDAC6 | |
| SCHEMBL7294446 | 0.84 | EPHX2 (0.52) | NR1H4EPHX2TPSAB1HDAC1HDAC6 | |
| SCHEMBL7295665 | 0.81 | EPHX2 (0.63) | NR1H4EPHX2ITGB3ITGA2BITGB1 | |
| Trifluoroacetic Acid SCHEMBL17894404 | 0.81 | EPHX2 (0.53) | NR1H4EPHX2PPARGTPSAB1HDAC1 |
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-0381033-B1 | Carboxylic-acid and sulphonic-acid amides | HOFFMANN LA ROCHE (CH) | 1994-03-23 | — | — | EP | claimed |
| US-5256812-A | Antitumor agents, cardiovascular disorders; having amidino or guandino groups | HOFFMANN-LA ROCHE INC. (US) | 1993-10-26 | — | — | US | claimed |