Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL4017979 | 0.85 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL71324 | 0.83 | — | — | |
| SCHEMBL29565104 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL27579641 | 0.81 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL7541993 | 0.81 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Bromide SCHEMBL27523623 | 0.81 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Methane SCHEMBL28845870 | 0.81 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL6679000 | 0.81 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL13518495 | 0.74 | CYP3A4 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL27588238 | 0.72 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-104987343-A | Method for synthesizing bithiophene pyrimidone derivative | BEIJING INST TECHNOLOGY | 2015-10-21 | — | — | CN | disclosed |