Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 7/20 | 0.58 |
| ▸ | PGR | P06401 | 7/20 | 0.58 |
| ▸ | AR | P10275 | 6/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | SHBG | P04278 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11798607 | 1.00 | CYP3A4 (0.58) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11798411 | 1.00 | CYP3A4 (0.58) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11806728 | 1.00 | CYP3A4 (0.58) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11798367 | 0.91 | CYP3A4 (0.49) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL10704998 | 0.89 | NR3C1 (0.65) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL10810971 | 0.88 | CYP3A4 (0.61) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11800085 | 0.88 | CYP3A4 (0.61) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11798628 | 0.88 | CYP3A4 (0.61) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11799760 | 0.87 | CYP3A4 (0.55) | CYP3A4NR3C1PGRARLMNA | |
| SCHEMBL11799756 | 0.87 | CYP3A4 (0.55) | CYP3A4NR3C1PGRARLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-3937700-A | Novel 1,2-methylene-17α-acyloxy (or improved hydroxy)-9β, 10α-steroid compounds of the pregnane series, pharmaceutic preparations on the basis of the novel compounds and methods of producing said compounds and preparations | U.S. PHILIPS CORPORATION (US) | 1976-02-10 | — | — | US | disclosed |