Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8092952 | 0.86 | CYP1A2 (0.48) | KDM4EALDH1A1CYP1A2CYP2C9POLB | |
| SCHEMBL8092956 | 0.82 | KDM4E (0.40) | KDM4EALDH1A1CYP1A2CYP2C9POLB | |
| SCHEMBL7344505 | 0.80 | CXCL8 (0.44) | KDM4EALDH1A1NPSR1SMN1; SMN2CAMK2A | |
| SCHEMBL7340892 | 0.80 | RXRA (0.47) | KDM4EALDH1A1PPARDPPARAPPARG | |
| SCHEMBL8081337 | 0.80 | CAMK2A (0.56) | KDM4EALDH1A1CYP2C9NPSR1CAMK2A | |
| SCHEMBL7336152 | 0.79 | KDM2B (0.49) | KDM4ECAMK2AMAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7339634 | 0.78 | ALDH1A1 (0.42) | KDM4EALDH1A1CYP1A2CYP2C9NPSR1 | |
| SCHEMBL7336394 | 0.77 | CAMK2A (0.41) | KDM4ENPSR1SMN1; SMN2CAMK2APPARG | |
| SCHEMBL8081374 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2CAMK2ARAB9A | |
| SCHEMBL8088543 | 0.76 | MAPT (0.47) | ALDH1A1CYP1A2CYP2C9POLBTSHR |
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 |