Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2129432 | 0.87 | NR1H2 (0.47) | ADORA3NR1H2NR1H3CA12CA1 | |
| SCHEMBL7361832 | 0.87 | SMN1; SMN2 (0.50) | ADORA3POLBNR1H2NR1H3CA12 | |
| SCHEMBL5206808 | 0.85 | POLB (0.58) | ADORA3POLBNR1H2NR1H3CA12 | |
| SCHEMBL24773784 | 0.78 | SMN1; SMN2 (0.51) | ADORA3NR1H2NR1H3CA12CA1 | |
| SCHEMBL17076373 | 0.78 | NR1H2 (0.47) | ADORA3NR1H2NR1H3CA12CA1 | |
| SCHEMBL7358402 | 0.75 | CYP3A4 (0.49) | ADORA3POLBNR1H2NR1H3CA12 | |
| SCHEMBL12490618 | 0.75 | ADORA3 (0.50) | ADORA3NR1H2NR1H3CA12CA1 | |
| SCHEMBL10456844 | 0.74 | NR1H2 (0.55) | NR1H2NR1H3CA12CA1CA2 | |
| SCHEMBL12490914 | 0.74 | ADORA3 (0.49) | ADORA3NR1H2NR1H3CA12CA1 | |
| SCHEMBL844557 | 0.73 | CA12 (0.47) | ADORA3NR1H2NR1H3CA12CA1 |
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-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0805681-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |