Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 5/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27519262 | 0.80 | FFAR1 (0.52) | FFAR1FFAR4ALDH1A1CA1CA2 | |
| SCHEMBL7374114 | 0.78 | MEN1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL7369711 | 0.78 | MAPT (0.62) | FFAR1FFAR4ALDH1A1MEN1KMT2A | |
| SCHEMBL7386531 | 0.77 | FFAR1 (0.56) | FFAR1FFAR4ALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL7368528 | 0.77 | MAPT (0.60) | FFAR1FFAR4ALDH1A1MEN1KMT2A | |
| SCHEMBL6962941 | 0.75 | FFAR1 (0.64) | FFAR1FFAR4ALDH1A1CA1CA2 | |
| SCHEMBL6780544 | 0.74 | FFAR1 (0.57) | FFAR1FFAR4CA1CA2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27325208 | 0.74 | FFAR1 (0.50) | FFAR1FFAR4CA1CA2CYP3A4 | |
| SCHEMBL1718875 | 0.74 | CYP3A4 (0.61) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| N-Benzylaniline SCHEMBL28146501 | 0.73 | FFAR1 (0.62) | FFAR1FFAR4ALDH1A1CA1CA2 |
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-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |