Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL27606823 | 0.78 | CYP2C8 (0.42) | CYP2C9NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL8889700 | 0.78 | TSHR (0.42) | CYP1A2CYP2C9CYP2C19CYP2D6NPC1 | |
| SCHEMBL8893348 | 0.74 | ALDH1A1 (0.43) | SMN1; SMN2L3MBTL1ALDH1A1MAPTDHODH | |
| SCHEMBL11782006 | 0.74 | PTGER1 (0.46) | PTGER1CYP1A2CYP2C9CYP2C19CCNE1 | |
| SCHEMBL27513121 | 0.73 | DHODH (0.46) | MAPTDHODHLMNA | |
| SCHEMBL8889548 | 0.72 | DHODH (0.47) | CCR5DHODHMEN1KMT2A | |
| SCHEMBL30341060 | 0.72 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL21332912 | 0.71 | CCNE1 (0.56) | PTGER1CYP1A2CYP2C9CYP2C19CCNE1 | |
| SCHEMBL8891282 | 0.71 | HPGD (0.36) | NPC1RAB9ASMN1; SMN2L3MBTL1CCR5 | |
| SCHEMBL8891005 | 0.71 | PLA2G2A (0.36) | SMN1; SMN2CCR5NR1H4DHODHMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0636622-B1 | Isoxazole derivatives and their use as herbicides | AVENTIS AGRICULTURE LTD (GB) | 2002-10-23 | — | — | EP | claimed |