Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.77 |
| ▸ | LMNA | P02545 | 4/20 | 0.77 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.77 |
| ▸ | PGR | P06401 | 4/20 | 0.77 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.77 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.77 |
| ▸ | ESR1 | P03372 | 2/20 | 0.77 |
| ▸ | SHBG | P04278 | 2/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | AR | P10275 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2682362 | 0.91 | CYP3A4 (0.80) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| SCHEMBL10477560 | 0.89 | CYP3A4 (0.77) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| SCHEMBL10933842 | 0.89 | CYP3A4 (0.77) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| SCHEMBL24476215 | 0.87 | CYP3A4 (0.74) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| SCHEMBL24476448 | 0.87 | CYP3A4 (0.70) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| Norethindrone SCHEMBL14074493 | 0.87 | CYP3A4 (1.00) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| Norethindrone SCHEMBL24476231 | 0.87 | CYP3A4 (1.00) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| SCHEMBL18134271 | 0.87 | CYP3A4 (0.80) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| Norethindrone SCHEMBL23390 | 0.87 | CYP3A4 (1.00) | CYP3A4LMNAABCB11PGRSLC6A4 | |
| Norethindrone SCHEMBL14577661 | 0.87 | CYP3A4 (1.00) | CYP3A4LMNAABCB11PGRSLC6A4 |
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-4550100-A | Process for the preparation of 17α-bromoethynyl- and 17α-iodoethynyl-17β-hydroxy steroids and novel products thereof | SCHERING AKTIENGESELLSCHAFT (DE) | 1985-10-29 | — | — | US | disclosed |