Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4197025 | 0.76 | CHRM2 (0.36) | ALDH1A1LMNAPKMVNN1MEN1 | |
| SCHEMBL22629016 | 0.75 | ALDH1A1 (0.38) | ALDH1A1LMNAPKMP2RX7VNN1 | |
| Hydrochloric Acid SCHEMBL20744334 | 0.73 | OPRM1 (0.40) | ALDH1A1LMNAPKMMEN1KMT2A | |
| SCHEMBL23231710 | 0.72 | ALDH1A1 (0.55) | ALDH1A1LMNAPKMMEN1KMT2A | |
| SCHEMBL30919794 | 0.72 | ALDH1A1 (0.55) | ALDH1A1LMNAPKMMEN1KMT2A | |
| SCHEMBL8230694 | 0.71 | P2RX7 (0.39) | ALDH1A1LMNAPKMP2RX7VNN1 | |
| SCHEMBL27925690 | 0.71 | ALDH1A1 (0.46) | ALDH1A1LMNAPKMP2RX7VNN1 | |
| Formic Acid SCHEMBL28280773 | 0.70 | HSD11B1 (0.41) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL25062372 | 0.70 | ALDH1A1 (0.45) | ALDH1A1LMNAPKMP2RX7VNN1 | |
| SCHEMBL2280246 | 0.69 | HTR2A (0.41) | ALDH1A1LMNAPKMMEN1KMT2A |
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-105916855-B | Substituted 4, 5, 6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2019-03-15 | — | — | CN | disclosed |