Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | FBP1 | P09467 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | MC5R | P33032 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | CCR2 | P41597 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9036023 | 0.80 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HPGDFBP1ALOX15 | |
| SCHEMBL381557 | 0.78 | ALDH1A1 (0.76) | ALDH1A1HSD17B10HPGDFBP1ALOX15 | |
| SCHEMBL30005981 | 0.78 | ALDH1A1 (0.76) | ALDH1A1HSD17B10HPGDFBP1ALOX15 | |
| SCHEMBL8043175 | 0.77 | LMNA (0.44) | ALDH1A1HPGDDRD2DRD3TDP1 | |
| Benzothiazyl Disulfide SCHEMBL7619152 | 0.77 | ALDH1A1 (0.63) | ALDH1A1HSD17B10HPGDFBP1ALOX15 | |
| SCHEMBL8047977 | 0.76 | KDM4E (0.47) | ALDH1A1HSD17B10HPGDTDP1L3MBTL1 | |
| SCHEMBL8032611 | 0.75 | PDK1 (0.62) | ALDH1A1PDK1TDP1CYP1A2CYP3A4 | |
| SCHEMBL8032835 | 0.75 | PKM (0.47) | ALDH1A1HSD17B10HPGDMAPTSMN1; SMN2 | |
| SCHEMBL8044071 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDFBP1ALOX15 | |
| SCHEMBL17795951 | 0.73 | ALDH1A1 (0.62) | ALDH1A1HSD17B10HPGDFBP1ALOX15 |
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-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |