Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27686509 | 0.80 | CES1 (0.43) | CES1TSHRALDH1A1CES2 | |
| SCHEMBL13115638 | 0.79 | CES1 (0.36) | CES1SPHK2SPHK1ALDH1A1CES2 | |
| SCHEMBL13716383 | 0.78 | CES1 (0.35) | CES1TSHRHPGDALDH1A1CES2 | |
| SCHEMBL8583365 | 0.76 | — | — | |
| SCHEMBL184575 | 0.76 | — | — | |
| SCHEMBL184574 | 0.76 | — | — | |
| SCHEMBL21882660 | 0.76 | ALDH1A1 (0.37) | CES1TSHRHPGDALDH1A1CES2 | |
| SCHEMBL18998415 | 0.73 | TSHR (0.35) | CES1TSHRALDH1A1CES2 | |
| SCHEMBL13359172 | 0.73 | CES1 (0.42) | CES1TSHRHPGDALDH1A1CES2 | |
| SCHEMBL13370285 | 0.73 | CES1 (0.33) | CES1TSHRHPGDALDH1A1CES2 |
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-2019054766-A1 | PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF | HANMI PHARM. CO., LTD. (KR) | 2019-03-21 | — | — | WO | disclosed |