Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | PGR | P06401 | 3/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | AR | P10275 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SHBG | P04278 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10821004 | 0.90 | CYP3A4 (0.77) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10820961 | 0.88 | PGR (0.79) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10821091 | 0.85 | ABCB11 (0.63) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10600697 | 0.82 | CYP3A4 (0.70) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10624392 | 0.82 | CYP3A4 (0.70) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10820864 | 0.80 | PGR (0.58) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10600689 | 0.79 | CYP3A4 (0.70) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10624384 | 0.79 | CYP3A4 (0.70) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL10821033 | 0.79 | PGR (0.79) | MAPTABCB11CYP3A4PGRNR3C1 | |
| SCHEMBL11291553 | 0.79 | CYP3A4 (0.85) | MAPTABCB11CYP3A4PGRNR3C1 |
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-4567002-A | Process for the preparation of 17-haloethynyl steroids, and novel 17-haloethynyl steroids | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-01-28 | — | — | US | disclosed |