Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | ABL1 | P00519 | 2/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15161107 | 0.90 | CYP17A1 (0.51) | CYP17A1CYP1A2DHODHCYP11B1CYP11B2 | |
| SCHEMBL9612927 | 0.89 | DHODH (0.50) | CYP17A1CYP1A2DHODHTNFCYP11B1 | |
| SCHEMBL10032866 | 0.87 | CYP11B1 (0.56) | CYP17A1CYP1A2DHODHCYP11B1CYP11B2 | |
| SCHEMBL18174724 | 0.86 | CYP17A1 (0.51) | CYP17A1CYP1A2DHODHTNFCYP11B1 | |
| SCHEMBL1102956 | 0.85 | TNF (0.56) | TNFCYP11B1KDM4EALDH1A1MAPT | |
| SCHEMBL18174671 | 0.85 | TNF (0.47) | CYP17A1CYP1A2DHODHTNFCYP11B1 | |
| SCHEMBL9613042 | 0.85 | DHODH (0.46) | CYP17A1CYP1A2DHODHTNFCYP11B1 | |
| SCHEMBL10032618 | 0.83 | CYP11B1 (0.54) | CYP17A1CYP1A2DHODHCYP11B1CYP11B2 | |
| SCHEMBL1102796 | 0.82 | TNF (0.56) | TNFCYP11B1KDM4EALDH1A1MAPT | |
| SCHEMBL1102801 | 0.82 | TNF (0.56) | TNFCYP11B1KDM4EALDH1A1MAPT |
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 |