Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 15/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862446 | 0.81 | HDAC1 (0.59) | ESR1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9862534 | 0.80 | ESR1 (0.55) | ESR1ESR2HDAC3HDAC1HDAC2 | |
| SCHEMBL9862532 | 0.76 | ESR1 (0.42) | ESR1ESR2EPHX2 | |
| SCHEMBL8636760 | 0.76 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL7286447 | 0.70 | NPC1 (0.48) | ESR1ESR2EPHX2 | |
| SCHEMBL14094348 | 0.69 | PPARG (0.74) | ESR1ESR2 | |
| SCHEMBL8641220 | 0.68 | ESR1 (0.62) | ESR1ESR2 | |
| SCHEMBL23343387 | 0.67 | EPHX2 (0.70) | EPHX2 | |
| SCHEMBL21596652 | 0.67 | EPHX2 (0.70) | EPHX2 | |
| SCHEMBL2483891 | 0.67 | EPHX2 (0.70) | EPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021414-A | Antiestrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-06-04 | — | — | US | disclosed |
| US-4904661-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-27 | — | — | US | disclosed |
| US-4732912-A | ANTIESTROGENS, ANTITUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-22 | — | — | US | disclosed |
| EP-0124369-A1 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-07 | — | — | EP | disclosed |