Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 6/20 | 0.48 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL29004432 | 0.89 | HTR6 (0.51) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL668105 | 0.87 | HTR6 (0.56) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL8770696 | 0.85 | HTR6 (0.55) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL9860070 | 0.85 | HTR6 (0.55) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL20952390 | 0.85 | HTR6 (0.55) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL5604259 | 0.85 | HTR6 (0.55) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL4004561 | 0.85 | HTR6 (0.55) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL9144867 | 0.85 | HTR6 (0.55) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL3239785 | 0.83 | HTR6 (0.58) | HTR6HTR2AHRH1SIGMAR1KDM4E | |
| SCHEMBL6673091 | 0.83 | HTR6 (0.53) | HTR6HTR2AHRH1SIGMAR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5091387-A | Spirocyclic oxytocin antagonists | MERCK & CO., INC. (US) | 1992-02-25 | — | — | US | disclosed |
| EP-0450761-A1 | Spirocyclic oxytocin antagonists | MERCK & CO. INC. (US) | 1991-10-09 | — | — | EP | disclosed |
| EP-0444945-A2 | Use of spirocyclic compounds as oxytocin antagonists | MERCK & CO. INC. (US) | 1991-09-04 | — | — | EP | disclosed |