Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10363554 | 0.85 | ALOX5 (0.41) | ALDH1A1POLBL3MBTL1CYP2C19ALOX5 | |
| SCHEMBL10364141 | 0.81 | ALDH1A1 (0.49) | CASP1ALDH1A1LMNAPOLBCYP3A4 | |
| SCHEMBL4209917 | 0.81 | GRM1 (0.46) | TSHRPOLBL3MBTL1CYP1A2RECQL | |
| SCHEMBL6682382 | 0.72 | CASP1 (0.45) | CASP1TSHRALDH1A1NPC1MITF | |
| SCHEMBL18147661 | 0.70 | CASP1 (0.44) | CASP1TSHRALDH1A1NPC1MITF | |
| SCHEMBL11287375 | 0.70 | CASP1 (0.37) | CASP1TSHRALDH1A1NPC1MITF | |
| SCHEMBL11495612 | 0.69 | TSHR (0.42) | CASP1TSHRALDH1A1LMNAPOLB | |
| SCHEMBL18509676 | 0.69 | ALDH1A1 (0.50) | CASP1TSHRALDH1A1NPC1MITF | |
| SCHEMBL18332397 | 0.68 | L3MBTL1 (0.48) | CASP1TSHRALDH1A1NPC1LMNA | |
| SCHEMBL865227 | 0.68 | ALDH1A1 (0.54) | CASP1TSHRALDH1A1NPC1LMNA |
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 |