Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL1407820 | 0.84 | GABRA1 (0.53) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL1407819 | 0.84 | GABRA1 (0.53) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL16979477 | 0.84 | CA1 (0.56) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL5845482 | 0.84 | CA1 (0.56) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL5845479 | 0.84 | CA1 (0.56) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL5846939 | 0.84 | CA1 (0.56) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL7996247 | 0.81 | CA1 (0.42) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL21827667 | 0.80 | MAPT (0.52) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL21827664 | 0.80 | MAPT (0.52) | CA1CA2CA4CA7CYP1A2 | |
| SCHEMBL4755187 | 0.80 | MAPT (0.52) | CA1CA2CA4CA7CYP1A2 |
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-2001068641-A1 | 6-AMINOALKYL-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS AGAINST VIRAL DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-20 | — | — | WO | disclosed |