Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL9841004 | 1.00 | EPHX1 (0.41) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL12522030 | 0.83 | ADRA2B (0.41) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL475431 | 0.80 | EPHX1 (0.44) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL475432 | 0.80 | EPHX1 (0.44) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL31080676 | 0.79 | TAAR1 (0.44) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL7784340 | 0.77 | TAAR1 (0.43) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL8222154 | 0.75 | SLC15A1 (0.39) | EPHX1CYP1A2HPGDALPIPKM | |
| SCHEMBL2296250 | 0.75 | CYP1A2 (0.47) | CYP1A2HPGDALPIPKMPTGS1 | |
| SCHEMBL2296245 | 0.75 | CYP1A2 (0.47) | CYP1A2HPGDALPIPKMPTGS1 | |
| SCHEMBL6606461 | 0.74 | TAAR1 (0.47) | EPHX1TAAR1MEN1KMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0288764-A1 | Optically active alpha-amino aldehydes, processes for their preparation and their use in the stereoselective preparation of optically active beta-amino alcohols | BAYER AG (DE) | 1988-11-02 | — | — | EP | disclosed |