Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 7/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30591798 | 0.77 | SRD5A2 (0.51) | VNN1SRD5A2CNR2CES2NPC1 | |
| SCHEMBL1635885 | 0.74 | ALDH1A1 (0.45) | NOTUMKIF11VNN1SRD5A2NPC1 | |
| SCHEMBL28785920 | 0.73 | ATM (0.36) | VNN1CNR2NPC1RAB9A | |
| SCHEMBL25369533 | 0.71 | CES2 (0.55) | SRD5A2CNR2CES2 | |
| SCHEMBL17224629 | 0.71 | HSD17B14 (0.38) | HSD17B1NPC1RAB9A | |
| SCHEMBL8376916 | 0.70 | CES2 (0.50) | HDAC1CES2NPC1RAB9A | |
| SCHEMBL1273234 | 0.70 | — | — | |
| SCHEMBL135361 | 0.68 | KMT2A (0.50) | SRD5A2CNR2CES2NPC1RAB9A | |
| SCHEMBL8378303 | 0.67 | PARP1 (0.47) | VNN1NPC1RAB9A | |
| SCHEMBL7949522 | 0.67 | PARP1 (0.47) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679284-B | 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles, and use thereof as herbicides | BAYER CROPSCIENCE AG | 2013-03-27 | — | — | CN | claimed |
| CN-101679284-A | 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles, and use thereof as herbicides | BAYER CROPSCIENCE AG | 2010-03-24 | — | — | CN | claimed |