Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TST | Q16762 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9152312 | 0.88 | ESR1 (0.57) | ESR1ESR2ADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL29274338 | 0.82 | TAAR1 (0.50) | ALDH1A1KDM4ELMNATP53CA2 | |
| SCHEMBL2564117 | 0.81 | ESR1 (0.52) | ESR1ESR2ADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL2564120 | 0.81 | ESR1 (0.52) | ESR1ESR2ADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL27425537 | 0.80 | CYP1A2 (0.48) | ALDH1A1ACHETAAR1L3MBTL1KMT2A | |
| SCHEMBL27454262 | 0.78 | TAAR1 (0.47) | ALDH1A1KDM4ECYP2C19TAAR1L3MBTL1 | |
| SCHEMBL9150371 | 0.78 | TAAR1 (0.47) | SLC6A2ALDH1A1KDM4ESLC6A4SLC6A3 | |
| SCHEMBL27427314 | 0.78 | TAAR1 (0.47) | LMNAPTGS1PTGS2TAAR1L3MBTL1 | |
| SCHEMBL9152782 | 0.77 | ESR1 (0.46) | ESR1ESR2ADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL7750793 | 0.77 | ESR1 (0.59) | ESR1ESR2ADRA2ASLC6A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5393774-A | Antispasmodic agents | PIEPER HELMUT (DE) | 1995-02-28 | — | — | US | disclosed |