Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 9/20 | 0.44 |
| ▸ | THRB | P10828 | 9/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9153914 | 0.89 | ESR1 (0.46) | ESR1ESR2GABRA1GABRB2ALOX15 | |
| SCHEMBL11591985 | 0.87 | ESR1 (0.50) | ESR1ESR2GABRA1GABRB2THRA | |
| SCHEMBL16973201 | 0.82 | GABRA1 (0.59) | ESR1ESR2GABRA1GABRB2ALOX15 | |
| SCHEMBL21361280 | 0.81 | PNMT (0.41) | ESR1ESR2OPRK1LMNAPOLB | |
| SCHEMBL11584588 | 0.81 | ALDH1A1 (0.50) | ESR1ESR2GABRA1GABRB2ALOX15 | |
| SCHEMBL22599093 | 0.80 | ESR1 (0.55) | ESR1ESR2GABRA1GABRB2THRA | |
| SCHEMBL5168806 | 0.79 | GABRA1 (0.63) | ESR1GABRA1GABRB2THRATHRB | |
| SCHEMBL20920805 | 0.78 | IGF1R (0.53) | GABRA1GABRB2THRATHRBALOX15 | |
| SCHEMBL3638975 | 0.77 | GABRA1 (0.53) | ESR1GABRA1GABRB2ALOX15ALOX12 | |
| SCHEMBL9069704 | 0.76 | ESR1 (0.61) | ESR1ESR2SLC6A2SLC6A3TRPA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |