Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29471398 | 0.78 | ALDH1A1 (0.61) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL77114 | 0.78 | ALDH1A1 (0.61) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL2169591 | 0.77 | CYP3A4 (0.52) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL1332133 | 0.77 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL4726617 | 0.77 | CYP3A4 (0.68) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL30438740 | 0.77 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL3548169 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL1899849 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1GABRA1 | |
| SCHEMBL4056709 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1MAPT | |
| SCHEMBL3399416 | 0.76 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4514210-A | Herbicidally active methyl-substituted tetrahydro-2-pyrimidinone derivatives | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-04-30 | — | — | US | disclosed |