Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.39 |
| ▸ | CNR1 | P21554 | 6/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10717732 | 0.96 | IKBKB (0.42) | IKBKBHSD17B1CNR1HSD17B2CYP1A2 | |
| SCHEMBL13742991 | 0.80 | ENPP1 (0.40) | HSD17B1HSD17B2DAOESRRGESR1 | |
| SCHEMBL22872105 | 0.78 | ENPP1 (0.39) | HSD17B1HSD17B2DAOESRRGESR1 | |
| SCHEMBL6820638 | 0.78 | IKBKB (0.43) | IKBKBHSD17B1CNR1HSD17B2ESR1 | |
| SCHEMBL19439599 | 0.78 | DAO (0.48) | HSD17B1HSD17B2DAOGRIN1GRIN2B | |
| SCHEMBL18188060 | 0.78 | IKBKB (0.57) | IKBKBHSD17B1CNR1HSD17B2CYP1A2 | |
| SCHEMBL145588 | 0.76 | DAO (0.37) | HSD17B1HSD17B2DAOESR1GRIN1 | |
| SCHEMBL4848171 | 0.76 | KIF11 (0.44) | HSD17B1HSD17B2DAOHDAC6 | |
| SCHEMBL16801819 | 0.75 | DAO (0.46) | HSD17B1HSD17B2DAOGRIN1GRIN2B | |
| SCHEMBL22872137 | 0.74 | PTPN1 (0.38) | HSD17B1HSD17B2GRIN1GRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3386990-A1 | THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF | Cadent Therapeutics, Inc. (US) | 2018-10-17 | — | — | EP | disclosed |
| WO-2017100599-A1 | THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF | LUC THERAPEUTICS (US) | 2017-06-15 | — | — | WO | disclosed |
| WO-2017100593-A1 | THIENOPYRIMIDINONE NMDA RECEPTOR MODULATORS AND USES THEREOF | LUC THERAPEUTICS (US) | 2017-06-15 | — | — | WO | disclosed |