Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14956297 | 0.80 | KMT2A (0.47) | ALDH1A1RECQLMRGPRX4KMT2AMEN1 | |
| SCHEMBL7334130 | 0.80 | KMT2A (0.35) | ALDH1A1RECQLMRGPRX4KMT2AMEN1 | |
| SCHEMBL3531950 | 0.76 | GRIA1 (0.40) | GRIA1CACNG8ALDH1A1KMT2AMEN1 | |
| SCHEMBL16822093 | 0.76 | GRIA1 (0.40) | GRIA1CACNG8ALDH1A1KMT2AMEN1 | |
| SCHEMBL7344131 | 0.75 | FABP4 (0.53) | KMT2A | |
| SCHEMBL26162784 | 0.72 | KMT2A (0.37) | ALDH1A1RECQLKMT2AMEN1CYP1A2 | |
| SCHEMBL7341969 | 0.72 | KDM4E (0.51) | KMT2ACYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10532535 | 0.72 | ALDH1A1 (0.43) | ALDH1A1RECQLMRGPRX4KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL10533956 | 0.71 | ALDH1A1 (0.42) | ALDH1A1RECQLMRGPRX4KMT2AMEN1 | |
| SCHEMBL2744577 | 0.70 | GRIA1 (0.42) | GRIA1CACNG8ALDH1A1KMT2AMEN1 |
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 |