Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11711518 | 0.88 | SMN1; SMN2 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL11716966 | 0.86 | MAPK1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL11711122 | 0.82 | MAPK1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL11718067 | 0.78 | MAPK8 (0.41) | ALDH1A1MAPTGAASMN1; SMN2HPGD | |
| SCHEMBL7831118 | 0.77 | RARA (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3083990 | 0.76 | ACVR2A (0.35) | MAPK1KMT2A | |
| SCHEMBL3091314 | 0.74 | KDR (0.38) | LMNAMAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL3077936 | 0.74 | KDR (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL7832137 | 0.73 | GPR174 (0.33) | — | |
| SCHEMBL3071104 | 0.73 | MEN1 (0.40) | LMNAMAPTKMT2AMEN1CYP3A4 |
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-4059433-A | 3-Alkoxyisothiazole derivatives as herbicides | FMC CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |