Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | FBP1 | P09467 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044135 | 0.86 | ALDH1A1 (0.49) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8046524 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8043423 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8043413 | 0.82 | HSP90AA1 (0.41) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8046562 | 0.81 | ALDH1A1 (0.70) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8042232 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8046550 | 0.81 | ALDH1A1 (0.40) | ALDH1A1HPGDL3MBTL1TSHRHSD17B10 | |
| SCHEMBL8045604 | 0.80 | ALDH1A1 (0.34) | ALDH1A1HSD17B10SMN1; SMN2MAPTTP53 | |
| SCHEMBL8047942 | 0.80 | PKM (0.40) | ALDH1A1HPGDGAARAB9ASMN1; SMN2 | |
| SCHEMBL8043758 | 0.80 | PDK1 (0.52) | ALDH1A1TSHRPDK1TDP1GAA |
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 |