Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL2518509 | 0.77 | PDE4B (0.48) | CES2CES1AKR1B1ALDH1A1BCHE | |
| SCHEMBL29447697 | 0.76 | CYP19A1 (0.39) | CYP19A1CES2CES1AKR1B1 | |
| SCHEMBL24937837 | 0.73 | NPC1 (0.49) | ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL8508057 | 0.73 | P2RX4 (0.51) | ALDH1A1BCHEHPGDKMT2ANPSR1 | |
| SCHEMBL21816275 | 0.73 | F2 (0.46) | CYP19A1ALDH1A1L3MBTL1HPGDKDM4E | |
| SCHEMBL28698664 | 0.72 | MAPK1 (0.45) | CYP19A1CES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL17825839 | 0.72 | MEN1 (0.49) | CYP19A1ALDH1A1L3MBTL1GLAHPGD | |
| Bicarbonate SCHEMBL15511343 | 0.71 | F2 (0.45) | CYP19A1ALDH1A1L3MBTL1HPGDKDM4E | |
| SCHEMBL14693589 | 0.70 | F2 (0.55) | ALDH1A1HPGDKDM4EKMT2AF2 | |
| SCHEMBL6126592 | 0.70 | CES1 (0.54) | CES2CES1AKR1B1ALDH1A1BCHE |
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-2013049591-A2 | DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | VERSEON CORPORATION (US) | 2013-04-04 | — | — | WO | disclosed |