Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.32 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26384836 | 0.81 | ALDH1A1 (0.34) | ALDH1A1KMT2A | |
| SCHEMBL8313942 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KMT2A | |
| SCHEMBL20670355 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KMT2AOPRM1SLC22A1SLC6A4 | |
| SCHEMBL29889358 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KMT2AOPRM1SLC22A1SLC6A4 | |
| SCHEMBL20670356 | 0.76 | ALDH1A1 (0.38) | ALDH1A1KMT2AOPRM1KCNH2BDKRB2 | |
| SCHEMBL10236917 | 0.73 | CHRM2 (0.36) | — | |
| SCHEMBL11420167 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL10567744 | 0.71 | KMT2A (0.58) | ALDH1A1KMT2AOPRM1SLC22A1SLC6A4 | |
| SCHEMBL7253857 | 0.70 | USP2 (0.38) | ALDH1A1KMT2A | |
| SCHEMBL2012671 | 0.70 | VNN1 (0.33) | ALDH1A1OPRM1SLC22A1SLC6A4ADRA1A |
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-2017095898-A1 | USES OF PYRIMIDO-PYRIMIDAZINONES TO TREAT CANCER | ASANA BIOSCIENCES, LLC (US) | 2017-06-08 | — | — | WO | disclosed |