Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL454465 | 0.87 | ALDH1A1 (0.37) | ALDH1A1LMNAHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL12487996 | 0.86 | C5AR1 (0.32) | C5AR1ALDH1A1GAA | |
| SCHEMBL12487106 | 0.84 | ALDH1A1 (0.33) | ALDH1A1CYP2C19KMT2A | |
| SCHEMBL455741 | 0.84 | ALDH1A1 (0.35) | ALDH1A1LMNAHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL9894751 | 0.83 | SMN1; SMN2 (0.34) | ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL9895903 | 0.83 | SMN1; SMN2 (0.34) | ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL455770 | 0.82 | PIK3CA (0.38) | ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL463121 | 0.82 | PIK3CA (0.38) | ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL455769 | 0.82 | PIK3CA (0.38) | ALDH1A1HPGDKDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL12487816 | 0.76 | F2 (0.35) | ALDH1A1HPGDKDM4ESMN1; SMN2NPC1 |
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-2012122171-A1 | HERBICIDAL BIS-NITROGEN-CONTAINING OXO HETEROCYCLES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-09-13 | — | — | WO | disclosed |