Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | MEN1 | O00255 | 3/20 | 0.74 |
| ▸ | TP53 | P04637 | 3/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.74 |
| ▸ | PGR | P06401 | 2/20 | 0.74 |
| ▸ | ESRRG | P62508 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | NPC1 | O15118 | 1/20 | 0.74 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.74 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.74 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | EGFR | P00533 | 1/20 | 0.74 |
| ▸ | GBA1 | P04062 | 1/20 | 0.74 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.74 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.74 |
| ▸ | PRKCG | P05129 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL640130 | 0.93 | ESR1 (0.81) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL640131 | 0.93 | ESR1 (0.81) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL640132 | 0.93 | ESR1 (0.81) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL2412102 | 0.89 | ESR1 (0.90) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL2412107 | 0.89 | ESR1 (0.90) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL28507550 | 0.88 | ESR1 (0.92) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL10116700 | 0.88 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL4085 | 0.86 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL17262111 | 0.86 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL1056785 | 0.86 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 |
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-8119695-B2 | Compounds and methods for treating breast cancer and other diseases | CITY OF HOPE (US) | 2012-02-21 | — | — | US | disclosed |
| US-8119695-B2 | Compounds and methods for treating breast cancer and other diseases | CITY OF HOPE (US) | 2012-02-21 | — | — | US | disclosed |