Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT1A1 | P22309 | 3/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | CCKAR | P32238 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CKS1B | P61024 | 1/20 | 0.33 |
| ▸ | SKP1 | P63208 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 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 | |
|---|---|---|---|---|
| SCHEMBL4247397 | 0.91 | UGT1A1 (0.39) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL893430 | 0.80 | HDAC3 (0.40) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL9943653 | 0.77 | HDAC3 (0.40) | HDAC3HDAC1HDAC2NCOR2KCNH2 | |
| SCHEMBL893429 | 0.70 | CYP3A4 (0.45) | HDAC3HDAC1HDAC2NCOR2TDP1 | |
| SCHEMBL8630273 | 0.69 | HDAC3 (0.52) | HDAC3HDAC1HDAC2NCOR2CKS1B | |
| SCHEMBL6010530 | 0.68 | UGT1A1 (0.55) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL6010279 | 0.68 | UGT1A1 (0.55) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL8647499 | 0.67 | HDAC3 (0.53) | HDAC3HDAC1HDAC2NCOR2CKS1B | |
| SCHEMBL893476 | 0.67 | CYP3A4 (0.45) | TDP1 | |
| SCHEMBL9943681 | 0.66 | REN (0.39) | OPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |