Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3494965 | 0.84 | DAO (0.43) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL3196141 | 0.83 | TSHR (0.51) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL3732383 | 0.78 | CES2 (0.58) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL3181932 | 0.78 | CES2 (0.58) | CES2CES1NPC1RAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL27786104 | 0.78 | DAO (0.47) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL5394296 | 0.77 | CES2 (0.62) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL22955796 | 0.77 | TSHR (0.49) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL15120382 | 0.76 | CES2 (0.56) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL4498835 | 0.75 | TSHR (0.48) | CES2CES1NPC1RAB9AALDH1A1 | |
| SCHEMBL2173910 | 0.74 | TSHR (0.50) | CES2CES1NPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7456295-B1 | Bis(thienyl)isopyrazoles and process for preparing and method for using bis(thienyl)isopyrazoles | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2008-11-25 | — | — | US | claimed |