Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 4/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL454947 | 0.92 | ALDH1A1 (0.50) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27973020 | 0.90 | ALDH1A1 (0.50) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL65170 | 0.87 | ALDH1A1 (0.50) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| Methacrylic Acid SCHEMBL28869186 | 0.85 | LMNA (0.45) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| Propionic Acid SCHEMBL28376521 | 0.80 | ALDH1A1 (0.61) | LMNAALDH1A1SMN1; SMN2CHRM2CHRM1 | |
| SCHEMBL65758 | 0.80 | ALDH1A1 (0.50) | LMNAALDH1A1SMN1; SMN2CHRM2CHRM1 | |
| Acetic Acid SCHEMBL28377700 | 0.80 | CYP2D6 (0.47) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL12727764 | 0.80 | ALDH1A1 (0.57) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL8586627 | 0.79 | BLM (0.54) | CYP2D6LMNACYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL611933 | 0.79 | ALDH1A1 (0.58) | CYP2D6LMNACYP1A2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108250090-B | Positively charged water-soluble prodrugs of ketoprofen and related compounds with rapid skin penetration rate | 于崇曦 | 2021-08-20 | — | — | CN | disclosed |