Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | PGR | P06401 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | AR | P10275 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11218087 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11230217 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11233037 | 0.92 | ALDH1A1 (0.56) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11226298 | 0.90 | LMNA (0.61) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL10380434 | 0.90 | ALDH1A1 (0.74) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11104861 | 0.89 | ALDH1A1 (0.63) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11104875 | 0.89 | ALDH1A1 (0.63) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11230509 | 0.87 | ALDH1A1 (0.51) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11105182 | 0.87 | ALDH1A1 (0.57) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11222464 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP3A4PGRCYP2C19AR |
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 |
|---|---|---|---|---|---|---|---|
| US-4309423-A | ANTIALDOSTERONES | CIBA-GEIGY CORPORATION (US) | 1982-01-05 | — | — | US | claimed |
| US-4309423-A | ANTIALDOSTERONES | CIBA-GEIGY CORPORATION (US) | 1982-01-05 | — | — | US | disclosed |