Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5446276 | 0.89 | L3MBTL1 (0.53) | L3MBTL1PPARAALDH1A1NPC1RAB9A | |
| SCHEMBL8092952 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2C9PPARAALDH1A1RAB9A | |
| SCHEMBL20954694 | 0.83 | MTNR1A (0.48) | MRGPRX4L3MBTL1PPARAALDH1A1NPC1 | |
| SCHEMBL20954700 | 0.83 | MTNR1A (0.58) | L3MBTL1CYP1A2CYP2C9PPARAALDH1A1 | |
| SCHEMBL6247717 | 0.83 | MAOB (0.60) | L3MBTL1CYP2C9PPARANPC1RAB9A | |
| SCHEMBL31032329 | 0.82 | RXRA (0.57) | MRGPRX4PPARGPPARD | |
| SCHEMBL20954710 | 0.81 | MTNR1A (0.47) | L3MBTL1PPARAALDH1A1NPC1RAB9A | |
| SCHEMBL20954703 | 0.81 | MEN1 (0.51) | L3MBTL1PPARAALDH1A1NPC1PPARG | |
| SCHEMBL1593105 | 0.81 | MEN1 (0.51) | MRGPRX4ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29593701 | 0.81 | MAOB (0.50) | MRGPRX4L3MBTL1ALDH1A1NPC1RAB9A |
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 1 patent. 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 |