Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | GABRE | P78334 | 2/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849226 | 0.80 | GABRP (0.34) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL20310852 | 0.69 | EGFR (0.36) | EGFR | |
| Hydrochloric Acid SCHEMBL9356508 | 0.69 | ROCK2 (0.41) | CA1CA2ROCK2JAK2 | |
| SCHEMBL20310858 | 0.69 | EGFR (0.40) | EGFR | |
| SCHEMBL16623589 | 0.69 | EGFR (0.43) | EGFRPARP1RECQLTDP1JAK2 | |
| Hydrochloric Acid SCHEMBL9356510 | 0.67 | ALDH1A1 (0.43) | ROCK2 | |
| SCHEMBL20311130 | 0.67 | EGFR (0.44) | EGFRCA1CA2PARP1JAK2 | |
| SCHEMBL20311409 | 0.65 | EGFR (0.37) | EGFR | |
| SCHEMBL16623535 | 0.65 | ALDH1A1 (0.36) | EGFRCA1CA2 | |
| SCHEMBL4103299 | 0.65 | ABAT (0.44) | CA1CA2TRPV1TDP1 |
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-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |