Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4731535 | 0.71 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1 | |
| SCHEMBL7178243 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL19720836 | 0.64 | ALDH1A1 (0.40) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL13638239 | 0.63 | ALDH1A1 (0.36) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL9927343 | 0.62 | KDM4E (0.43) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL28820670 | 0.62 | KDM4E (0.39) | ALDH1A1RAB9AKDM4ENPC1TDP1 | |
| SCHEMBL7364550 | 0.62 | LTA4H (0.39) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL3545 | 0.62 | L3MBTL1 (0.57) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL16291133 | 0.62 | L3MBTL1 (0.57) | ALDH1A1CYP1A2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL8172715 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1200425-A1 | THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS | NIHON BAYER AGROCHEM K.K. (JP) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001005787-A1 | THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS | NIHON BAYER AGROCHEM K.K. (DE) | 2001-01-25 | — | — | WO | disclosed |