Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | PTPRZ1 | P23471 | 2/20 | 0.45 |
| ▸ | OXTR | P30559 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.42 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.42 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.42 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10988990 | 0.83 | GAA (0.59) | HSD11B1ALDH1A1KDM4ETDP1MEN1 | |
| SCHEMBL27344449 | 0.81 | ALDH1A1 (0.45) | HSD11B1ALDH1A1KDM4ETDP1PTPN1 | |
| SCHEMBL27416474 | 0.81 | ALDH1A1 (0.45) | HSD11B1ALDH1A1KDM4ETDP1PTPN1 | |
| SCHEMBL10982759 | 0.80 | HSD11B1 (0.62) | HSD11B1ALDH1A1KDM4ETDP1ABCC9 | |
| SCHEMBL10978202 | 0.79 | HSD11B1 (0.57) | HSD11B1ALDH1A1KDM4ETDP1KCNK2 | |
| SCHEMBL10987219 | 0.78 | KMT2A (0.67) | HSD11B1ALDH1A1TSHRKCNK2KCNK10 | |
| SCHEMBL1546684 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1PTPN1PTPRZ1 | |
| SCHEMBL943162 | 0.77 | HTR6 (0.67) | HTR6HSD11B1ALDH1A1TDP1TSHR | |
| SCHEMBL11005739 | 0.76 | KIF11 (0.55) | ALDH1A1TSHRABCC9ABCC8KCNJ11 | |
| SCHEMBL777056 | 0.76 | ALDH1A1 (0.56) | ALDH1A1KDM4ETDP1PTPN1PTPRZ1 |
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-4552984-A | SULFONYLATION IN PRESENCE OF BORON TRIFLUORIDE, HYDROGEN FLUORIDE | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1985-11-12 | — | — | US | disclosed |