Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 4/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL455769 | 1.00 | PIK3CA (0.38) | PIK3CAALDH1A1CYP1A2HSD17B10CYP2C9 | |
| SCHEMBL455770 | 1.00 | PIK3CA (0.38) | PIK3CAALDH1A1CYP1A2HSD17B10CYP2C9 | |
| SCHEMBL454465 | 0.89 | ALDH1A1 (0.37) | ALDH1A1CYP1A2HSD17B10HPGDTSHR | |
| SCHEMBL455741 | 0.86 | ALDH1A1 (0.35) | ALDH1A1CYP1A2HSD17B10CYP2C9CYP3A4 | |
| SCHEMBL9895903 | 0.84 | SMN1; SMN2 (0.34) | ALDH1A1CYP1A2HSD17B10HPGDTSHR | |
| SCHEMBL9894751 | 0.84 | SMN1; SMN2 (0.34) | ALDH1A1CYP1A2HSD17B10HPGDTSHR | |
| SCHEMBL12487641 | 0.82 | C5AR1 (0.35) | PIK3CAALDH1A1CYP1A2HSD17B10CYP2C9 | |
| SCHEMBL12487816 | 0.81 | F2 (0.35) | ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E | |
| SCHEMBL454360 | 0.76 | HTT (0.43) | ALDH1A1HSD17B10HPGDTSHRSMN1; SMN2 | |
| SCHEMBL455598 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C9CYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012033548-A2 | HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |