Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| SCHEMBL29384962 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2C9APOBEC3GHPGD | |
| SCHEMBL27015 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2C9APOBEC3GHPGD | |
| SCHEMBL954995 | 0.77 | GABRA1 (0.48) | CYP2C19ALDH1A1CYP1B1HTR2APDCD1 | |
| SCHEMBL31732993 | 0.77 | GABRA1 (0.48) | CYP2C19ALDH1A1CYP1B1HTR2APDCD1 | |
| SCHEMBL7930885 | 0.77 | HTR2A (0.42) | CYP1A2CYP2C19CYP2C9APOBEC3GHPGD | |
| SCHEMBL8402119 | 0.74 | HTR2A (0.56) | CYP1A2APOBEC3GHPGDALDH1A1HSD17B10 | |
| SCHEMBL7885384 | 0.73 | TDP1 (0.36) | CYP1A2CYP2C19CYP2C9APOBEC3GHPGD | |
| SCHEMBL31733100 | 0.73 | HTR2A (0.44) | CYP1A2CYP2C19HTR2APDCD1CD274 | |
| SCHEMBL1128764 | 0.72 | CYP1A2 (0.36) | CYP1A2CYP2C19CYP2C9APOBEC3GHPGD | |
| SCHEMBL3834629 | 0.72 | ALDH1A1 (0.43) | CYP1A2CYP2C19APOBEC3GHPGDALDH1A1 |
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-2003089570-A2 | CRYSTALS AND STRUCTURES OF CMP-KDO SYNTHETASE KdoPS or CKS | STRUCTURAL GENOMIX, INC. (US) | 2003-10-30 | — | — | WO | disclosed |