Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1355407 | 0.83 | TSHR (0.42) | TSHRLMNACES2GABRPGABRD | |
| Benzene SCHEMBL11562666 | 0.76 | LMNA (0.31) | LMNA | |
| SCHEMBL17993483 | 0.74 | TSHR (0.34) | TSHRLMNACES2GABRPGABRD | |
| SCHEMBL23067733 | 0.74 | LMNA (0.32) | LMNA | |
| SCHEMBL14010784 | 0.71 | FFAR1 (0.33) | TSHRLMNACES2GABRPGABRD | |
| SCHEMBL21291247 | 0.71 | LMNA (0.32) | TSHRLMNA | |
| SCHEMBL23864852 | 0.71 | KDM4E (0.38) | TSHRLMNABLMMAPK1HSD17B10 | |
| SCHEMBL24755662 | 0.70 | TSHR (0.34) | TSHRLMNAGABRPGABRDGABRA1 | |
| SCHEMBL21264412 | 0.70 | TSHR (0.34) | TSHRLMNAGABRPGABRDGABRA1 | |
| SCHEMBL23300034 | 0.70 | — | — |
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-3087060-B1 | PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME (US) | 2020-05-13 | — | — | EP | disclosed |