Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2551265 | 0.88 | TDP1 (0.52) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL30759711 | 0.88 | TDP1 (0.52) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL80679 | 0.88 | CYP3A4 (0.52) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL31325611 | 0.86 | ESR1 (0.50) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL5596874 | 0.83 | TDP1 (0.52) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL19696748 | 0.83 | CYP3A4 (0.52) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL31003837 | 0.78 | ESR1 (0.43) | ESR1ESR2CYP3A4TDP1DRD1 | |
| Phosphoric Acid SCHEMBL30084858 | 0.74 | ESR1 (0.43) | ESR1ESR2CYP3A4TDP1MAPT | |
| SCHEMBL3934481 | 0.74 | ESR1 (0.46) | ESR1ESR2CYP3A4TDP1DRD1 | |
| SCHEMBL18486570 | 0.74 | ESR1 (0.46) | ESR1ESR2CYP3A4TDP1DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1263771-A2 | CHEMOSELECTIVE LIGATION BY USE OF A PHOSPHINE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001068565-A2 | CHEMOSELECTIVE LIGATION BY USE OF A PHOSPHINE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2001-09-20 | — | — | WO | disclosed |