Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1715651 | 0.81 | IDO1 (0.58) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2091979 | 0.81 | SLC6A3 (0.43) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2091982 | 0.81 | IDO1 (0.44) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL121522 | 0.80 | SLC6A3 (0.43) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL29427096 | 0.80 | SLC6A3 (0.43) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL1715608 | 0.79 | IDO1 (0.59) | GRIN2BGRIN1 | |
| SCHEMBL2909934 | 0.78 | SLC6A3 (0.43) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2094057 | 0.78 | GRIN2B (0.40) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL23881813 | 0.77 | SLC6A3 (0.48) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2908194 | 0.77 | SLC6A2 (0.44) | GRIN2BGRIN1SLC6A3SLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |