Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL374631 | 0.88 | SMN1; SMN2 (0.55) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9577479 | 0.81 | CYP19A1 (0.46) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL8633789 | 0.80 | CYP1A2 (0.52) | RAB9ANPC1SMN1; SMN2HPGDMAPT | |
| SCHEMBL9822900 | 0.77 | SRD5A2 (0.58) | RAB9ANPC1ALDH1A1NFKB1NFKB2 | |
| SCHEMBL3138767 | 0.71 | CES2 (0.54) | RAB9ANPC1ALDH1A1NFKB1NFKB2 | |
| SCHEMBL9593190 | 0.70 | SMN1; SMN2 (0.52) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL28668332 | 0.70 | SMN1; SMN2 (0.52) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL29350361 | 0.70 | SRD5A2 (0.74) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL522683 | 0.70 | SRD5A2 (0.74) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9749593 | 0.69 | CES1 (0.62) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD |
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-2006009967-A2 | NOVEL ESTER AS USEFUL BROAD SPECTRUM FUNGICIDAL COMPOUNDS | CORET JOEL MARCEL (US) | 2006-01-26 | — | — | WO | disclosed |
| US-20050282841-A1 | Novel esters as useful broad spectrum fungicidal compounds | CORET JOEL M | 2005-12-22 | — | — | US | disclosed |