Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | CASP1 | P29466 | 5/20 | 0.35 |
| ▸ | CASP7 | P55210 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL454637 | 0.87 | CYP1A2 (0.40) | ALDH1A1CYP1A2HSD17B10HPGDBRD4 | |
| SCHEMBL457304 | 0.74 | TDP1 (0.39) | ALDH1A1CYP1A2HSD17B10HPGDRXFP1 | |
| SCHEMBL9903971 | 0.69 | CYP1A2 (0.40) | ALDH1A1CYP1A2HSD17B10HPGDBRD4 | |
| SCHEMBL454628 | 0.67 | SMN1; SMN2 (0.36) | ALDH1A1CYP1A2HSD17B10HPGDRAB9A | |
| SCHEMBL16435041 | 0.67 | KMT2A (0.36) | ALDH1A1RXFP1TDP1MEN1KMT2A | |
| SCHEMBL455164 | 0.67 | SMN1; SMN2 (0.36) | ALDH1A1HSD17B10HPGDRAB9AMAPT | |
| SCHEMBL9895278 | 0.66 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HSD17B10HPGDRXFP1 | |
| SCHEMBL12487741 | 0.66 | SMN1; SMN2 (0.35) | ALDH1A1CYP1A2HSD17B10HPGDRAB9A | |
| SCHEMBL454865 | 0.65 | BUB1 (0.38) | ALDH1A1HSD17B10HPGDBRD4RAB9A | |
| SCHEMBL9895127 | 0.65 | CYP1A2 (0.47) | ALDH1A1CYP1A2HSD17B10HPGDCYP3A4 |
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 2 patents. 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 | claimed |
| 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 |