Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.48 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317404 | 0.82 | CA12 (0.46) | CA12BRD4BRPF1CA9KAT2B | |
| SCHEMBL3500363 | 0.82 | CA12 (0.46) | CA12BRD4BRPF1CA9KAT2B | |
| SCHEMBL5166276 | 0.74 | NPC1 (0.43) | KMT2AGRM5GRM1ALDH1A1MAPT | |
| SCHEMBL10581383 | 0.73 | PARP1 (0.37) | KMT2ATSHRMEN1CYP3A4CYP2C9 | |
| SCHEMBL19924469 | 0.72 | CA12 (0.50) | CA12BRD4BRPF1CA9KAT2B | |
| SCHEMBL3501961 | 0.71 | CA12 (0.46) | CA12BRD4BRPF1CA9KAT2B | |
| SCHEMBL31033172 | 0.71 | SCN7A (0.56) | CA12BRD4BRPF1CA9KAT2B | |
| SCHEMBL31439148 | 0.70 | HTR2A (0.34) | KMT2AMCOLN3TSHRMAPT | |
| SCHEMBL15515608 | 0.70 | PLA2G10 (0.45) | TSHRALDH1A1GAA | |
| SCHEMBL3717533 | 0.69 | CDK4 (0.41) | KMT2ATSHRMEN1ALDH1A1HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995019773-A1 | CARBOSTYRIL OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-07-27 | — | — | WO | disclosed |
| WO-1995019773-A1 | CARBOSTYRIL OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-07-27 | — | — | WO | disclosed |
| US-5356904-A | Administering to prevent preterm labor in mammals | MERCK & CO., INC. (US) | 1994-10-18 | — | — | US | disclosed |