Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 3/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL20195549 | 0.87 | ALDH1A1 (0.51) | ALDH1A1GABRA5HPGDGRM5NPC1 | |
| SCHEMBL20195547 | 0.81 | GABRA5 (0.46) | ALDH1A1ADRA2BPTGS1TDP1GABRA5 | |
| SCHEMBL20195529 | 0.81 | HTT (0.46) | GABRA5NPC1MAPK1KMT2ARAB9A | |
| SCHEMBL20195577 | 0.79 | GABRA5 (0.42) | ALDH1A1GABRA5GRM5NPC1CYP2D6 | |
| SCHEMBL20195568 | 0.77 | SYK (0.41) | ALDH1A1ADRA2BPTGS1TDP1SYK | |
| SCHEMBL20195668 | 0.77 | RAB9A (0.44) | ALDH1A1GABRA5HTR1AADRA1DADRA1A | |
| SCHEMBL20195642 | 0.77 | ALDH1A1 (0.51) | ALDH1A1TDP1HTR1AADRA1DADRA1A | |
| SCHEMBL18185043 | 0.76 | ALDH1A1 (0.54) | ALDH1A1ADRA2BPTGS1TDP1HPGD | |
| SCHEMBL22563897 | 0.75 | ALDH1A1 (0.37) | ALDH1A1ADRA2BPTGS1TDP1KMT2A | |
| SCHEMBL18504096 | 0.75 | ALDH1A1 (0.37) | ALDH1A1ADRA2BPTGS1TDP1HPGD |
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-3029035-B1 | TETRAZOLINONE COMPOUND, AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-05-30 | — | — | EP | disclosed |