Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.61 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.61 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | ESRRB | O95718 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.61 |
| ▸ | SHBG | P04278 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL6854850 | 1.00 | ESR1 (0.64) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL9144315 | 1.00 | ESR1 (0.64) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL24399389 | 0.88 | ESR1 (0.61) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL20010697 | 0.88 | ESR1 (0.61) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL20015657 | 0.88 | ESR1 (0.61) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL6541316 | 0.87 | HSD17B10 (0.69) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL6541320 | 0.87 | HSD17B10 (0.69) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL19644037 | 0.86 | ESR1 (0.60) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL19644038 | 0.86 | ESR1 (0.60) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL22368047 | 0.86 | ESR1 (0.69) | ESR1ESR2HSD17B10LMNATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040002052-A1 | Systems and methods for rapid evaluation and design of molecules for predicted biological activity | PHARMACOGENETICS DEVELOPMENT COMPANY, INC. | 2004-01-01 | — | — | US | disclosed |
| EP-0001668-B1 | CYCLISATION PROCESS FOR PREPARING 11 BETA-AXIALLY-SUBSTITUTED STEROIDS | AKZO N.V. (NL) | 1983-05-25 | — | — | EP | disclosed |
| US-4222940-A | Cyclization substrates, cyclization process and related 11β-axially-substituted steroids | AKZONA INCORPORATED (US) | 1980-09-16 | — | — | US | disclosed |