Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9612933 | 0.90 | TNF (0.48) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL18174758 | 0.90 | GRM4 (0.43) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL18174564 | 0.89 | GRM4 (0.49) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL9613162 | 0.89 | TNF (0.43) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL18174778 | 0.89 | CYP19A1 (0.45) | GRM4DHODHS1PR1S1PR3CYP19A1 | |
| SCHEMBL18174776 | 0.88 | GRM4 (0.43) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL18174750 | 0.87 | GRM4 (0.43) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL15161039 | 0.85 | GRM4 (0.46) | CYP17A1CYP1A2GRM4DHODHS1PR1 | |
| SCHEMBL18174605 | 0.85 | PIK3CA (0.44) | TNFCYP17A1CYP1A2GRM4DHODH | |
| SCHEMBL18174759 | 0.84 | CYP17A1 (0.46) | CYP17A1CYP1A2GRM4DHODHS1PR1 |
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-2012070535-A1 | ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | JNC株式会社 (JP) | 2012-05-31 | — | — | WO | disclosed |