Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.81 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.81 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.78 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.78 |
| ▸ | ESRRA | P11474 | 9/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.64 |
| ▸ | PPARG | P37231 | 1/20 | 0.64 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.64 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | ESRRB | O95718 | 8/20 | 0.59 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10806360 | 1.00 | ESR1 (0.81) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10800287 | 0.98 | ESR1 (0.81) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10800292 | 0.98 | ESR1 (0.81) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL14094329 | 0.94 | ESR1 (0.79) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL26158824 | 0.94 | ESR1 (0.79) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL13139941 | 0.94 | ESR1 (0.79) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10807820 | 0.91 | ESR1 (0.95) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10972000 | 0.91 | ESR1 (0.95) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10971997 | 0.91 | ESR1 (0.95) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10807827 | 0.91 | ESR1 (0.95) | ESR1ESR2HDAC3HDAC6ESRRA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4659516-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-04-21 | — | — | US | disclosed |
| EP-0138504-A2 | Steroid derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-04-24 | — | — | EP | disclosed |