Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | BCR | P11274 | 2/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14564377 | 0.86 | SCN9A (0.62) | SCN9A | |
| SCHEMBL4751198 | 0.84 | HSD17B1 (0.58) | SCN9AHSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL1186172 | 0.84 | ESR1 (0.46) | ESR1MEN1KMT2ASCN9AHSD17B1 | |
| SCHEMBL16159336 | 0.83 | SCN9A (0.55) | ESR1SCN9AHSD17B1HSD17B2ESR2 | |
| SCHEMBL16159397 | 0.81 | SCN9A (0.54) | SCN9A | |
| SCHEMBL8007795 | 0.80 | ABL1 (0.54) | MEN1KMT2ASCN9AABL1ABCB1 | |
| SCHEMBL16159400 | 0.79 | SCN9A (0.55) | SCN9AHSD17B1HSD17B2 | |
| SCHEMBL16159398 | 0.77 | SCN9A (0.52) | ESR1SCN9AHSD17B1HSD17B2ESR2 | |
| SCHEMBL27607302 | 0.76 | HDAC4 (0.51) | MEN1KMT2ASCN9AALDH1A1MAPT | |
| SCHEMBL16159195 | 0.76 | SCN9A (0.49) | SCN9ADUSP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000019994-A9 | ESTROGEN RECEPTOR LIGANDS | UNIV ILLINOIS (US) | 2000-08-31 | — | — | WO | disclosed |
| WO-2000019994-A1 | ESTROGEN RECEPTOR LIGANDS | BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2000-04-13 | — | — | WO | disclosed |