Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16955179 | 0.85 | HTR2A (0.39) | GABRA1GABRB2NPC1RAB9A | |
| SCHEMBL16960173 | 0.83 | GABRA1 (0.39) | TSHRGABRA1GABRB2L3MBTL1NPC1 | |
| SCHEMBL25774449 | 0.81 | HMGCR (0.49) | HMGCRTP53TSHRGABRA1GABRB2 | |
| SCHEMBL9879684 | 0.81 | HMGCR (0.53) | HMGCRTP53TSHRGABRA1GABRB2 | |
| SCHEMBL16955433 | 0.80 | HMGCR (0.38) | HMGCRGABRA1GABRB2 | |
| SCHEMBL16953452 | 0.77 | HMGCR (0.36) | HMGCRGABRA1GABRB2 | |
| SCHEMBL8846167 | 0.77 | GABRA1 (0.52) | HMGCRTP53GABRA1GABRB2SMN1; SMN2 | |
| SCHEMBL5167911 | 0.77 | GABRA1 (0.56) | HMGCRTP53TSHRGABRA1GABRB2 | |
| SCHEMBL16956048 | 0.77 | GABRA1 (0.35) | TSHRGABRA1GABRB2L3MBTL1NPC1 | |
| SCHEMBL16952999 | 0.77 | GABRA1 (0.35) | TSHRGABRA1GABRB2NPC1RAB9A |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |