Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GABRP | O00591 | 2/20 | 0.46 |
| ▸ | GABRD | O14764 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.46 |
| ▸ | GABRE | P78334 | 2/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12747377 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HPGDHSD17B10CYP3A4AKR1C4 | |
| SCHEMBL28761699 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HPGDHSD17B10CYP3A4AKR1C4 | |
| SCHEMBL28704965 | 0.82 | CYP3A4 (0.65) | ALDH1A1HPGDHSD17B10CYP3A4AKR1C4 | |
| SCHEMBL27750939 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HPGDHSD17B10CYP3A4AKR1C4 | |
| SCHEMBL8977878 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10CYP3A4AKR1C4 | |
| SCHEMBL29264039 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDHSD17B10KDM4EMEN1 | |
| SCHEMBL669840 | 0.80 | HTT (0.50) | ALDH1A1HPGDHSD17B10CYP3A4TP53 | |
| SCHEMBL10796654 | 0.79 | GABRP (0.47) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL30810293 | 0.79 | ALDH1A1 (0.76) | ALDH1A1HPGDHSD17B10CYP3A4GABRP | |
| SCHEMBL14564097 | 0.79 | ALDH1A1 (0.76) | ALDH1A1HPGDHSD17B10CYP3A4GABRP |
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-3148962-B1 | PROCESS TO PREPARE 3-METHYL-2-NITROBENZOIC ACID BY AIR OXIDATION | FMC AGRO SINGAPORE PTE LTD (SG) | 2020-05-13 | — | — | EP | disclosed |