Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7610980 | 0.89 | MEN1 (0.44) | ALDH1A1SMN1; SMN2TSHRHTR2AHRH1 | |
| SCHEMBL7764648 | 0.88 | KMT2A (0.47) | ALDH1A1SMN1; SMN2TSHROPRM1OPRD1 | |
| SCHEMBL7609951 | 0.88 | SMN1; SMN2 (0.36) | ALDH1A1SMN1; SMN2TSHRHTR2AHRH1 | |
| SCHEMBL7764640 | 0.86 | LPAR1 (0.41) | ALDH1A1SMN1; SMN2OPRD1MEN1KMT2A | |
| SCHEMBL7769464 | 0.84 | CASR (0.46) | ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2D6 | |
| SCHEMBL7768607 | 0.82 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL6027885 | 0.81 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2TSHRHTR2AHRH1 | |
| SCHEMBL7612302 | 0.80 | ALOX5 (0.45) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL7768591 | 0.76 | CNR2 (0.33) | SMN1; SMN2MEN1KMT2ALMNAKDM4E | |
| SCHEMBL7611651 | 0.74 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA |
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-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |