Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6710240 | 0.99 | ESR1 (0.40) | ESR1ESR2RAB9AHPGDL3MBTL1 | |
| SCHEMBL6711210 | 0.87 | ESR1 (0.49) | ESR1ESR2RAB9AAOC3NPC1 | |
| SCHEMBL2479131 | 0.81 | PKM (0.46) | ESR1ESR2RAB9ATDP1NPC1 | |
| SCHEMBL6711182 | 0.78 | ESR1 (0.39) | ESR1ESR2RAB9AAOC3NPC1 | |
| SCHEMBL8529936 | 0.77 | MPO (0.51) | ESR1ESR2SMN1; SMN2GAACA12 | |
| Hydrochloric Acid SCHEMBL6710202 | 0.77 | ESR1 (0.45) | ESR1ESR2RAB9AAOC3NPC1 | |
| Hydrochloric Acid SCHEMBL7703819 | 0.76 | MPO (0.50) | ESR1ESR2SMN1; SMN2GAACA12 | |
| SCHEMBL6712685 | 0.76 | KDM4E (0.49) | TDP1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL2478804 | 0.76 | ESR1 (0.46) | ESR1ESR2RAB9AAOC3SMN1; SMN2 | |
| SCHEMBL6711049 | 0.75 | ESR1 (0.56) | ESR1ESR2AOC3HIF1AFFAR4 |
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-0898566-A1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | Akzo Nobel N.V. (NL) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997040027-A1 | SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION | AKZO NOBEL N.V. (NL) | 1997-10-30 | — | — | WO | disclosed |