Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 3/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 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 | |
|---|---|---|---|---|
| SCHEMBL23566152 | 0.81 | IMPDH2 (0.37) | IMPDH2ALDH1A1HPGDHSD17B10TOP1 | |
| SCHEMBL14089894 | 0.81 | ESR1 (0.50) | IMPDH2IMPDH1ALDH1A1HPGDESR1 | |
| SCHEMBL6748327 | 0.81 | ESR1 (0.50) | AAK1IMPDH2IMPDH1GAAALDH1A1 | |
| SCHEMBL6752797 | 0.80 | NPFFR1 (0.41) | SLC9A1IMPDH2IMPDH1GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL3362652 | 0.79 | ESR1 (0.49) | AAK1IMPDH2IMPDH1GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL3363806 | 0.79 | ESR1 (0.49) | IMPDH2IMPDH1ALDH1A1HPGDESR1 | |
| Hydrochloric Acid SCHEMBL3366769 | 0.79 | NPFFR1 (0.41) | SLC9A1IMPDH2IMPDH1GAAALDH1A1 | |
| SCHEMBL23566315 | 0.78 | F2 (0.33) | ALDH1A1NQO2KLKB1RAB9ANPC1 | |
| SCHEMBL23566153 | 0.77 | POLB (0.37) | HSD17B10NQO2TDP1RAB9ANPC1 | |
| SCHEMBL14089892 | 0.77 | AAK1 (0.44) | AAK1IMPDH2IMPDH1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021127452-A1 | COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2021-06-24 | — | — | WO | disclosed |