Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6236362 | 0.94 | MEN1 (0.36) | ALDH1A1CYP3A4TDP1TP53HSD17B10 | |
| SCHEMBL698809 | 0.85 | MEN1 (0.40) | ALDH1A1CYP3A4TDP1TP53HSD17B10 | |
| SCHEMBL8935137 | 0.83 | MEN1 (0.38) | ALDH1A1CYP3A4TDP1TP53HSD17B10 | |
| SCHEMBL9451018 | 0.82 | MEN1 (0.41) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL24109360 | 0.82 | MEN1 (0.45) | ALDH1A1TAAR1CCNB2CDK1CCNB1 | |
| SCHEMBL23483030 | 0.82 | MEN1 (0.45) | ALDH1A1TAAR1CCNB2CDK1CCNB1 | |
| SCHEMBL14864491 | 0.80 | RAB9A (0.48) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL19850827 | 0.74 | CYP11B1 (0.47) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL30358225 | 0.74 | CCNB2 (0.44) | TAAR1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL3140395 | 0.72 | MAPT (0.51) | ALDH1A1CYP3A4HSD17B10RAB9ANPC1 |
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-2012074437-A2 | SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ, ЛЛС (US) | 2012-06-07 | — | — | WO | disclosed |