Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 6/20 | 0.41 |
| ▸ | CASP7 | P55210 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL454628 | 0.79 | SMN1; SMN2 (0.36) | CYP1A2KMT2ACYP2C9MEN1TDP1 | |
| SCHEMBL455164 | 0.79 | SMN1; SMN2 (0.36) | KMT2AMEN1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL454865 | 0.78 | BUB1 (0.38) | KMT2AMEN1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL457304 | 0.77 | TDP1 (0.39) | CYP1A2CYP3A4KMT2ACYP2C9CYP2C19 | |
| SCHEMBL454465 | 0.77 | ALDH1A1 (0.37) | CYP1A2KMT2ACYP2C19ALOX15MEN1 | |
| SCHEMBL454360 | 0.76 | HTT (0.43) | KMT2AMEN1PKMTDP1HSD17B10 | |
| SCHEMBL12487641 | 0.75 | C5AR1 (0.35) | CYP1A2CYP3A4KMT2ACYP2C9CYP2C19 | |
| SCHEMBL455741 | 0.75 | ALDH1A1 (0.35) | CYP1A2CYP3A4KMT2ACYP2C9CYP2C19 | |
| SCHEMBL9895903 | 0.73 | SMN1; SMN2 (0.34) | CYP1A2KMT2ACYP2C19ALOX15MEN1 | |
| SCHEMBL455769 | 0.73 | PIK3CA (0.38) | CYP1A2CYP3A4KMT2ACYP2C9CYP2C19 |
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 |