Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | MMEL1 | Q495T6 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311117 | 0.95 | MMEL1 (0.37) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7317732 | 0.92 | HDAC3 (0.36) | CYP3A4CYP2D6CYP2C19HDAC3HDAC4 | |
| SCHEMBL7321260 | 0.90 | HDAC3 (0.38) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7312623 | 0.90 | MMEL1 (0.45) | MMEL1 | |
| SCHEMBL7318805 | 0.89 | MMEL1 (0.37) | CYP3A4CYP2D6CYP2C19HDAC3HDAC4 | |
| SCHEMBL7319958 | 0.88 | MEN1 (0.34) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7309213 | 0.87 | ITGB3 (0.34) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7321202 | 0.86 | MME (0.40) | MMEL1 | |
| SCHEMBL7322732 | 0.85 | TLR2 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9681904 | 0.80 | MMEL1 (0.39) | CYP3A4CYP2D6CYP2C19HDAC3HDAC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0592367-A2 | Phosphono/biaryl substituted dipeptide derivatives | CIBA-GEIGY AG (CH) | 1994-04-13 | — | — | EP | disclosed |
| US-5294632-A | Diuretics and vasorelaxants | CIBA-GEIGY CORPORATION (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0511940-A2 | Phosphono/biaryl substituted dipeptide derivatives | CIBA-GEIGY AG (CH) | 1992-11-04 | — | — | EP | disclosed |
| US-5155100-A | Treating cardiovascular disorders in mammals | CIBA-GEIGY CORPORATION (US) | 1992-10-13 | — | — | US | disclosed |