Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211055 | 0.86 | PTGS1 (0.41) | PTGS1ABCB11LMNAADORA1PTGS2 | |
| SCHEMBL10988751 | 0.85 | GABRP (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL14976575 | 0.80 | MTNR1A (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL20594388 | 0.79 | KDM4E (0.40) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2921220 | 0.78 | GABRP (0.50) | LMNAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL31494238 | 0.78 | GABRP (0.50) | LMNAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL4331649 | 0.76 | CASP6 (0.40) | PTGS1ABCB11LMNAADORA1PTGS2 | |
| SCHEMBL5136122 | 0.76 | KAT8 (0.49) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL1457096 | 0.75 | KDM4E (0.48) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL555823 | 0.75 | KDM4E (0.48) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9975903-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-22 | — | — | US | disclosed |