Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11512109 | 0.84 | TSHR (0.40) | ALDH1A1CES2CES1POLBAOC3 | |
| SCHEMBL6790893 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL28042518 | 0.82 | DEPTOR (0.42) | ALDH1A1CES2CES1POLBTSHR | |
| SCHEMBL10441686 | 0.82 | AOC3 (0.40) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL5429550 | 0.79 | AOC3 (0.38) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL27669364 | 0.79 | POLB (0.37) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL665305 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL1820107 | 0.75 | POLB (0.50) | ALDH1A1CES2CES1POLBTSHR | |
| SCHEMBL4726035 | 0.75 | TDP1 (0.41) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL11592385 | 0.75 | TRPM8 (0.49) | ALDH1A1MEN1KMT2APOLBTSHR |
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-2009089042-A1 | PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2009-07-16 | — | — | WO | disclosed |