Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| 1,2-Dichloroethane SCHEMBL28431339 | 0.94 | HCAR2 (0.41) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL4412 | 0.94 | — | — | |
| SCHEMBL28285089 | 0.91 | — | — | |
| Alcohol SCHEMBL28357108 | 0.89 | HCAR2 (0.43) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL28343786 | 0.88 | HCAR2 (0.39) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| Acetic Acid SCHEMBL28563384 | 0.88 | HCAR2 (0.47) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| Ethylenediamine SCHEMBL15322398 | 0.86 | HCAR2 (0.41) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL10781172 | 0.86 | ALDH1A1 (0.56) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL2743750 | 0.80 | GAA (0.41) | HCAR2NPSR1ALDH1A1LMNAHSD17B10 | |
| O-Xylene SCHEMBL28512915 | 0.80 | CYP1A2 (0.44) | NPSR1ALDH1A1LMNAHSD17B10MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348299-B | Fused tricyclic compounds as RAF kinase inhibitors | 百济神州有限公司 | 2017-12-15 | — | — | CN | disclosed |
| CN-86100254-A | The method for preparing tertiary amine compounds | — | 1986-10-08 | — | — | CN | disclosed |