Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MB | P02144 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10926482 | 0.82 | ALDH1A1 (0.48) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL27872334 | 0.80 | ESR1 (0.40) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL10326109 | 0.79 | TSHR (0.46) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL29588899 | 0.78 | ESR1 (0.42) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL6801979 | 0.78 | LTB4R2 (0.53) | ESR1ESR2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL935744 | 0.78 | MLYCD (0.41) | ESR1ESR2ALDH1A1CA2 | |
| SCHEMBL6909286 | 0.77 | CA2 (0.42) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL27365059 | 0.77 | CYP3A4 (0.41) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL18258684 | 0.77 | ESR1 (0.38) | ESR1ESR2ALDH1A1TSHRMAPT | |
| SCHEMBL9614627 | 0.76 | HSD17B3 (0.44) | ESR1ESR2ALDH1A1TSHRLMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512020-A1 | PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF | Nobel Chemicals AB (SE) | 1992-11-11 | — | — | EP | claimed |
| WO-1991010642-A1 | PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS | NOBEL CHEMICALS AB (SE) | 1991-07-25 | — | — | WO | claimed |
| EP-0512020-A1 | PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF | Nobel Chemicals AB (SE) | 1992-11-11 | — | — | EP | disclosed |
| WO-1991010642-A1 | PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS | NOBEL CHEMICALS AB (SE) | 1991-07-25 | — | — | WO | disclosed |
| EP-0229947-B1 | NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1991-03-13 | — | — | EP | disclosed |
| US-4849530-A | Process for the preparation of crystalline salts or aryloxy-propanolamines | RORER PHARMACEUTICAL CORPORATION (US) | 1989-07-18 | — | — | US | disclosed |
| US-4767784-A | DIPHENYLACETATES | RORER PHARMACEUTICAL CORPORATION | 1988-08-30 | — | — | US | disclosed |
| EP-0229947-A1 | Novel crystalline salts of aryloxy-propanolamines, their preparation and their use | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1987-07-29 | — | — | EP | disclosed |