Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.74 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11737805 | 0.87 | CYP17A1 (0.72) | CYP17A1EPHX2P2RX7MAPTMEN1 | |
| SCHEMBL29387031 | 0.85 | CYP17A1 (0.71) | CYP17A1EPHX2HPGDP2RX7MEN1 | |
| SCHEMBL3009288 | 0.84 | CYP17A1 (0.54) | CYP17A1EPHX2HPGDLMNAP2RX7 | |
| SCHEMBL13207438 | 0.84 | CYP17A1 (0.54) | CYP17A1EPHX2HPGDLMNAP2RX7 | |
| SCHEMBL3009285 | 0.84 | CYP17A1 (0.54) | CYP17A1EPHX2HPGDLMNAP2RX7 | |
| SCHEMBL3324030 | 0.84 | CYP17A1 (0.72) | CYP17A1EPHX2P2RX7NPSR1 | |
| SCHEMBL2407972 | 0.82 | CYP17A1 (0.66) | CYP17A1EPHX2P2RX7MEN1KMT2A | |
| SCHEMBL2406664 | 0.82 | CYP17A1 (0.66) | CYP17A1EPHX2P2RX7MEN1KMT2A | |
| SCHEMBL2409395 | 0.81 | CYP17A1 (0.57) | CYP17A1EPHX2LMNAMEN1KMT2A | |
| SCHEMBL2405324 | 0.81 | CYP17A1 (0.57) | CYP17A1EPHX2LMNAMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6348625-B1 | TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA | ANDERSON GLORIA LONG (US) | 2002-02-19 | — | — | US | claimed |
| US-6348625-B1 | TREATING CORRESPONDING CARBOXYLIC ACID FUNCTIONAL GROUP WITH N,N-DIETHYL-1,1,2,3,3,3-HEXAFLUOROPROPYLAMINE FOLLOWED BY AMMONIA | ANDERSON GLORIA LONG (US) | 2002-02-19 | — | — | US | disclosed |
| US-4053509-A | ADAMANTANE-CARBOXAMIDES OR CYCLOPROPANE-CARBOXAMIDES, CNS DRUGS ON | SCHERING CORPORATION (US) | 1977-10-11 | — | — | US | disclosed |
| US-3944675-A | Substituted aryl and aralkyl amides in the treatment of parkinsonism | SCHERING CORPORATION (US) | 1976-03-16 | — | — | US | disclosed |