Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.74 |
| ▸ | PGR | P06401 | 4/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | AR | P10275 | 1/20 | 0.74 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.74 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | LMNA | P02545 | 5/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11225925 | 0.90 | ALDH1A1 (0.60) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11218087 | 0.88 | ALDH1A1 (0.57) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11230217 | 0.88 | ALDH1A1 (0.57) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL11233037 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL10381553 | 0.87 | CYP3A4 (0.78) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| SCHEMBL2502157 | 0.87 | ALDH1A1 (0.78) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| Dydrogesterone SCHEMBL23360787 | 0.86 | CYP3A4 (1.00) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| Dydrogesterone SCHEMBL20281282 | 0.86 | CYP3A4 (1.00) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| Dydrogesterone SCHEMBL18814051 | 0.86 | CYP3A4 (1.00) | ALDH1A1CYP3A4PGRCYP2C19AR | |
| Dydrogesterone SCHEMBL11512798 | 0.86 | CYP3A4 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1990005528-A2 | ANTI-THROMBOTIC STEROIDS | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 1990-05-31 | — | — | WO | disclosed |
| US-4603128-A | 7-ACYLTHIO-4-&REGNENE-3,20-DFIONES | ULICK STANLEY | 1986-07-29 | — | — | US | disclosed |