Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27868448 | 0.85 | NOTUM (0.62) | PTGS2NOTUMALDH1A1KDM4EHPGD | |
| SCHEMBL30310181 | 0.82 | NOTUM (0.62) | NOTUMALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL1186921 | 0.82 | NOTUM (0.62) | NOTUMALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL27783346 | 0.80 | NOTUM (0.60) | NOTUMALDH1A1KDM4EHPGDHSD17B10 | |
| Ethoxycarbonyl Group SCHEMBL27933392 | 0.79 | NOTUM (0.66) | NOTUMALDH1A1KDM4EHPGDHSD17B10 | |
| Ethoxycarbonyl Group SCHEMBL28826453 | 0.77 | NOTUM (0.48) | PTGS2NOTUMALDH1A1KDM4EHPGD | |
| Ethoxycarbonyl Group SCHEMBL29082677 | 0.77 | NOTUM (0.47) | NOTUMALDH1A1KDM4EHPGDMAPK1 | |
| Ethoxycarbonyl Group SCHEMBL28826450 | 0.74 | NOTUM (0.47) | NOTUMALDH1A1KDM4EHPGDNPC1 | |
| Ethoxycarbonyl Group SCHEMBL29082690 | 0.72 | NOTUM (0.48) | NOTUMALDH1A1KDM4EHPGDMAPK1 | |
| 3-Methylpyridine SCHEMBL28078587 | 0.71 | CYP2A6 (0.41) | PTGS2ALDH1A1KDM4EMAPK1NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103140483-B | Novel heterocyclic compounds as pesticides | BAYER CROPSCIENCE AG | 2015-06-24 | — | — | CN | disclosed |
| CN-104086528-A | Novel heterocyclic compounds as pesticides | BAYER IP GMBH | 2014-10-08 | — | — | CN | disclosed |
| CN-103140483-A | novel heterocyclic compounds as pesticides | BAYER CROPSCIENCE AG | 2013-06-05 | — | — | CN | disclosed |