Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HK1 | P19367 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3587743 | 0.75 | MCL1 (0.59) | ALDH1A1HK1SMN1; SMN2HKDC1SLC9A1 | |
| SCHEMBL10002816 | 0.70 | KIF11 (0.39) | ALDH1A1SMN1; SMN2KDM4EKCNH2IDO1 | |
| SCHEMBL29812990 | 0.67 | CCR2 (0.54) | ALDH1A1SMN1; SMN2SLC9A1KDM4EMCL1 | |
| SCHEMBL3593923 | 0.67 | RXFP1 (0.54) | KCNH2MEN1KMT2ACCR2 | |
| SCHEMBL922975 | 0.64 | MAOB (0.51) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E | |
| SCHEMBL4073594 | 0.64 | TSHR (0.45) | ALDH1A1SMN1; SMN2SLC9A1KDM4EMAPT | |
| SCHEMBL20291500 | 0.62 | NR1H2 (0.59) | — | |
| SCHEMBL20291501 | 0.61 | ALDH1A1 (0.49) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E | |
| SCHEMBL20838602 | 0.61 | ALDH1A1 (0.66) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E | |
| SCHEMBL29426296 | 0.61 | ALDH1A1 (0.66) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011016528-A1 | AMINOPYRAZOLE DERIVATIVE | 中外製薬株式会社 (JP) | 2011-02-10 | — | — | WO | disclosed |