Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6183669 | 0.98 | ALDH1A1 (0.40) | ALDH1A1MAPK1AOC3MAOBSMN1; SMN2 | |
| SCHEMBL6203050 | 0.87 | KDM4E (0.44) | ALDH1A1SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL6183667 | 0.86 | AOC3 (0.39) | ALDH1A1MAPK1AOC3MAOBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6184322 | 0.86 | KDM4E (0.43) | ALDH1A1SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL2427291 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPK1AOC3SMN1; SMN2NPC1 | |
| SCHEMBL9349416 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPK1AOC3SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL6182013 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MAPK1AOC3SMN1; SMN2NPC1 | |
| SCHEMBL9239223 | 0.77 | MTNR1A (0.38) | ALDH1A1AOC3MAOBSMN1; SMN2NPC1 | |
| SCHEMBL9489186 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPK1AOC3SMN1; SMN2NPC1 | |
| SCHEMBL6616047 | 0.76 | MAPK1 (0.46) | ALDH1A1MAPK1AOC3KDM4CCTNNB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1160244-B1 | Isoxazole derivatives and their use as herbicides | BAYER AGRICULTURE LTD (GB) | 2005-10-19 | — | — | EP | disclosed |
| EP-1160244-A1 | Isoxazole derivatives and their use as herbicides | RHONE-POULENC AGRICULTURE LIMITED (GB) | 2001-12-05 | — | — | EP | disclosed |
| US-5489570-A | PRE- OR POST-EMERGENCE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1996-02-06 | — | — | US | disclosed |
| WO-1995025099-A1 | 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1995-09-21 | — | — | WO | disclosed |
| EP-0636622-A1 | Isoxazole derivatives and their use as herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1995-02-01 | — | — | EP | disclosed |