Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TYMP | P19971 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30069831 | 0.80 | ALDH1A1 (0.58) | ALDH1A1DHODHGLATSHRMAPK1 | |
| SCHEMBL26440147 | 0.80 | ALDH1A1 (0.58) | ALDH1A1DHODHGLATSHRMAPK1 | |
| SCHEMBL5197218 | 0.76 | TYMP (0.57) | ALDH1A1DAONR3C1TYMP | |
| Methylamine SCHEMBL28473402 | 0.71 | CYP1A2 (0.55) | ALDH1A1MEN1KMT2A | |
| SCHEMBL30365968 | 0.71 | CYP1A2 (0.59) | ALDH1A1MEN1KMT2A | |
| SCHEMBL47 | 0.71 | CYP1A2 (0.59) | ALDH1A1MEN1KMT2A | |
| Dimethylamine SCHEMBL6379516 | 0.69 | CYP1A2 (0.53) | ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL28763519 | 0.69 | CYP1A2 (0.57) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29140496 | 0.69 | CYP1A2 (0.57) | ALDH1A1MEN1KMT2A | |
| Water SCHEMBL8463988 | 0.69 | CYP1A2 (0.57) | ALDH1A1MEN1KMT2A |
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-2003057677-A1 | ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES | SYDDANSK UNIVERSITET (DK) | 2003-07-17 | — | — | WO | disclosed |