Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | LIPE | Q05469 | 2/20 | 0.30 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7335906 | 0.91 | OXTR (0.37) | OXTREPHX2SCN9ACYP2C9CYP2J2 | |
| SCHEMBL7342824 | 0.88 | OXTR (0.40) | OXTREPHX2SCN9ACYP2C9CYP2J2 | |
| SCHEMBL8092927 | 0.87 | EPHX2 (0.37) | EPHX2UTS2R | |
| SCHEMBL8088578 | 0.80 | EPHX2 (0.40) | EPHX2GPR119 | |
| SCHEMBL7343847 | 0.79 | — | — | |
| SCHEMBL7333661 | 0.78 | OXTR (0.42) | OXTRLIPEGPR119ACACB | |
| SCHEMBL8088615 | 0.78 | EPHX2 (0.36) | EPHX2GPR119 | |
| SCHEMBL8081388 | 0.77 | EPHX2 (0.40) | EPHX2LIPEGPR119 | |
| SCHEMBL7335803 | 0.77 | GPR119 (0.52) | OXTREPHX2LIPEGPR119 | |
| SCHEMBL7333820 | 0.77 | OXTR (0.41) | OXTREPHX2SCN9ACYP2C9MCHR1 |
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 |