Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL8092956 | 0.86 | KDM4E (0.40) | CYP1A2CYP2C9ALDH1A1KDM4EMEN1 | |
| SCHEMBL8092952 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2C9ALDH1A1KDM4EMEN1 | |
| SCHEMBL7040523 | 0.80 | ALDH1A1 (0.44) | CYP1A2CYP2C9ALDH1A1KDM4EPPARG | |
| SCHEMBL8088656 | 0.79 | MRGPRX4 (0.47) | CYP1A2CYP2C9ALDH1A1PPARGPPARD | |
| SCHEMBL8089553 | 0.78 | SMN1; SMN2 (0.43) | CYP1A2CYP2C9RAB9ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7334841 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2C9ALDH1A1KDM4EMEN1 | |
| SCHEMBL8088563 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C9ALDH1A1KDM4EMEN1 | |
| SCHEMBL7332593 | 0.77 | CYP1A2 (0.40) | CYP1A2CYP2C9ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL8088577 | 0.75 | L3MBTL1 (0.44) | CYP1A2CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL8089590 | 0.74 | MAPT (0.46) | CYP1A2CYP2C9ALDH1A1KDM4EMEN1 |
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 |