Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 12/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 3/20 | 0.33 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL16889399 | 0.96 | CYP17A1 (0.42) | CYP17A1CYP1A2DHODHCYP11B1CYP11B2 | |
| SCHEMBL16889574 | 0.92 | CYP17A1 (0.39) | CYP17A1CYP1A2DHODHCYP11B1CYP11B2 | |
| SCHEMBL16889611 | 0.91 | S1PR1 (0.37) | CYP17A1CYP1A2TNF | |
| SCHEMBL16889397 | 0.86 | NOTUM (0.40) | TNF | |
| SCHEMBL16889690 | 0.83 | — | — | |
| SCHEMBL16889514 | 0.83 | GRM4 (0.35) | CYP17A1CYP1A2TNF | |
| SCHEMBL16890514 | 0.82 | ENPP3 (0.36) | — | |
| SCHEMBL16889607 | 0.82 | PTGS1 (0.36) | DHODH | |
| SCHEMBL16891244 | 0.81 | CA12 (0.36) | — | |
| SCHEMBL16890515 | 0.80 | ENPP3 (0.36) | — |
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-2015102118-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2015-07-09 | — | — | WO | disclosed |