Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 18/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11356665 | 0.86 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MAPK1HSD17B10NPC1 | |
| SCHEMBL11364889 | 0.76 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1MAPK1HSD17B10NPC1 | |
| SCHEMBL11227526 | 0.67 | ALDH1A1 (0.47) | ALDH1A1MAPT | |
| SCHEMBL10367922 | 0.60 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1MAPK1HSD17B10NPC1 | |
| SCHEMBL11361298 | 0.60 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1MAPK1HSD17B10NPC1 | |
| SCHEMBL11235834 | 0.59 | NPC1 (0.30) | ALDH1A1NPC1RAB9A | |
| SCHEMBL24075688 | 0.59 | TSHR (0.41) | ALDH1A1HSD17B10NPC1RAB9AHPGD | |
| SCHEMBL17610074 | 0.59 | TSHR (0.41) | ALDH1A1HSD17B10NPC1RAB9AHPGD | |
| SCHEMBL24075689 | 0.59 | TSHR (0.41) | ALDH1A1HSD17B10NPC1RAB9AHPGD | |
| SCHEMBL10827534 | 0.58 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1MAPK1HSD17B10NPC1 |
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-4289524-A | Herbicidal 3-(tetrahydrobenzothiazol-2-yl)tetrahydro-1,3,5-oxadiazin-4-ones | VELSICOL CHEMICAL COPORATION (US) | 1981-09-15 | — | — | US | disclosed |