Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.64 |
| ▸ | PGR | P06401 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | SHBG | P04278 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | AR | P10275 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9619010 | 1.00 | CYP3A4 (0.64) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL9618987 | 1.00 | CYP3A4 (0.64) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL9618991 | 0.91 | CYP3A4 (0.64) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL9619142 | 0.91 | CYP3A4 (0.64) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL984515 | 0.89 | CYP3A4 (0.61) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL982096 | 0.89 | CYP3A4 (0.61) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL984513 | 0.89 | CYP3A4 (0.61) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL10477575 | 0.89 | CYP3A4 (0.64) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL13013675 | 0.87 | CYP3A4 (0.61) | CYP3A4ABCB11PGRLMNACYP2C19 | |
| SCHEMBL983773 | 0.87 | CYP3A4 (0.61) | CYP3A4ABCB11PGRLMNACYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0137434-B1 | ESTRANE AND ANDROSTANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | claimed |
| US-4780420-A | MEDICAL DIAGNOSIS | YALE UNIVERSITY (US) | 1988-10-25 | — | — | US | claimed |
| EP-0137434-B1 | ESTRANE AND ANDROSTANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | disclosed |
| US-4945064-A | Estrane and androstane derivatives, process for producing them and preparations containing these compounds | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-07-31 | — | — | US | disclosed |
| US-4780420-A | MEDICAL DIAGNOSIS | YALE UNIVERSITY (US) | 1988-10-25 | — | — | US | disclosed |
| US-4780420-A | MEDICAL DIAGNOSIS | YALE UNIVERSITY (US) | 1988-10-25 | — | — | US | disclosed |