Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.72 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12215903 | 0.88 | CYP2C19 (0.79) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL7534615 | 0.87 | ALDH1A1 (1.00) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL7700065 | 0.86 | AKR1C3 (0.66) | ALDH1A1CYP2C19NPSR1HTTTP53 | |
| SCHEMBL612760 | 0.86 | CYP2C19 (1.00) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL23309348 | 0.85 | CYP2C19 (0.74) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL22070846 | 0.85 | CYP2C19 (0.78) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL29641981 | 0.85 | CYP2C19 (0.74) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL22098400 | 0.85 | CYP2C19 (0.74) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL1000556 | 0.85 | CYP2C19 (0.78) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL23309218 | 0.84 | CYP2C19 (0.73) | ALDH1A1CYP2C19SMN1; SMN2RAB9ANPC1 |
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-2002020015-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2002-03-14 | — | — | WO | disclosed |