Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28115752 | 0.80 | CYP2A6 (0.51) | PDK2CYP2A6TDO2MEN1ERN1 | |
| SCHEMBL2649494 | 0.76 | AXL (0.56) | CYP2A6EPHB4TDO2MEN1MKNK1 | |
| SCHEMBL3946385 | 0.76 | IDO1 (0.53) | PDK2CYP2A6TDO2MEN1MKNK1 | |
| SCHEMBL27810036 | 0.75 | CYP11B2 (0.42) | PDK2CYP2A6EPHB4TDO2MEN1 | |
| SCHEMBL2408057 | 0.74 | PTGS1 (0.49) | PDK2CYP2A6EPHB4TDO2ERN1 | |
| SCHEMBL24568403 | 0.73 | KDM4E (0.47) | EPHB4ADORA2AERN1CYP17A1CYP11B1 | |
| SCHEMBL3094447 | 0.72 | AXL (0.56) | CYP2A6TDO2MEN1MKNK1MKNK2 | |
| SCHEMBL21999637 | 0.72 | TDO2 (0.48) | CYP2A6TDO2MEN1MKNK1MKNK2 | |
| SCHEMBL20757515 | 0.72 | PARP1 (0.46) | CYP2A6TDO2MEN1MKNK1MKNK2 | |
| SCHEMBL15624620 | 0.71 | TDO2 (0.56) | CYP2A6TDO2ERN1CYP17A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110082129-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2011-04-07 | — | — | US | disclosed |
| WO-2009156462-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110082129-A1 | ORGANIC COMPOUNDS | SLCO2B1, SLCO1B1, SLCO1B3 | PDK2 1126/4885CYP2A6 56/4885EPHB4 3149/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.