Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 16/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6148442 | 0.89 | CYP2D6 (0.64) | GPR119KEAP1NFE2L2KDM4EPKM | |
| SCHEMBL1576199 | 0.84 | GPR119 (0.61) | GPR119KDM4EPKM | |
| SCHEMBL1576156 | 0.83 | GPR119 (0.67) | GPR119 | |
| SCHEMBL1575489 | 0.82 | GPR119 (0.56) | GPR119KDM4EPKM | |
| SCHEMBL27035706 | 0.81 | GPR119 (0.53) | GPR119KEAP1NFE2L2KDM4EPKM | |
| SCHEMBL21461996 | 0.81 | GPR119 (0.54) | GPR119KEAP1NFE2L2 | |
| SCHEMBL3963092 | 0.80 | ALDH1A1 (0.71) | GPR119KEAP1NFE2L2 | |
| SCHEMBL4036422 | 0.80 | GPR119 (0.54) | GPR119KEAP1NFE2L2KDM4EPKM | |
| SCHEMBL6535900 | 0.80 | GRIN2B (0.80) | CYP2D6CYP2C9GRIN2B | |
| SCHEMBL389652 | 0.80 | FAAH (0.55) | GPR119KEAP1NFE2L2KDM4EPKM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-1289953-A1 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |
| WO-2001096304-A1 | SERINE PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |