Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | DHFR | P00374 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TERT | O14746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5994480 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL3716945 | 0.82 | PKM (0.49) | ALDH1A1KMT2APOLBMAPTL3MBTL1 | |
| SCHEMBL5995643 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KMT2AL3MBTL1ACHETP53 | |
| SCHEMBL8117155 | 0.81 | DHFR (0.44) | ALDH1A1DHFRCYP2C9CYP2C19MEN1 | |
| SCHEMBL341388 | 0.81 | ALDH1A1 (0.52) | ALDH1A1DHFRCYP2C19POLBL3MBTL1 | |
| SCHEMBL5996915 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP2C19POLBMAPTL3MBTL1 | |
| SCHEMBL13363938 | 0.77 | KDM4E (0.52) | ALDH1A1CYP2C19POLBL3MBTL1HSD17B10 | |
| SCHEMBL9072147 | 0.76 | DHFR (0.51) | ALDH1A1DHFRCYP2C9CYP2C19MEN1 | |
| SCHEMBL13075826 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CYP2C19MEN1KMT2APOLB | |
| SCHEMBL5997134 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP2C19MEN1KMT2APOLB |
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-5536698-A | Crop-protecting compositions containing isoxazolines or isothiazdines, novel isoxazolines, and their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-07-16 | — | — | US | disclosed |