Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12889037 | 0.82 | PTPN11 (0.40) | CYP2C19CYP2D6ALDH1A1TSHRMAPT | |
| SCHEMBL934070 | 0.81 | ALDH1A1 (0.33) | CYP2C19CYP2D6SYKALDH1A1TSHR | |
| SCHEMBL23405906 | 0.80 | FLT3 (0.42) | CYP2C19CYP2D6SYKLMNAMAPT | |
| SCHEMBL29743979 | 0.80 | FLT3 (0.42) | CYP2C19CYP2D6SYKLMNAMAPT | |
| SCHEMBL9272657 | 0.76 | KCNA5 (0.42) | CYP2C19CYP2D6KCNH2 | |
| SCHEMBL6158014 | 0.74 | POLB (0.52) | CYP2C19CYP2D6ALDH1A1MAPTKDM4E | |
| SCHEMBL29744072 | 0.73 | F12 (0.44) | CYP2C19CYP2D6SYKLMNAMAPT | |
| SCHEMBL23405914 | 0.73 | F12 (0.44) | CYP2C19CYP2D6SYKLMNAMAPT | |
| SCHEMBL933791 | 0.72 | CHRNA7 (0.36) | CYP2C19CYP2D6SYKALDH1A1TSHR | |
| SCHEMBL8486135 | 0.71 | AOC3 (0.41) | ALDH1A1LMNAMAPTCYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3072890-A1 | Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy | MEI Pharma, Inc. (US) | 2016-09-28 | — | — | EP | disclosed |