Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | S100B | P04271 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL102467 | 0.87 | — | — | |
| SCHEMBL29722285 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11831950 | 0.85 | CYP3A4 (0.54) | KEAP1ALDH1A1CYP3A4TDP1TSHR | |
| Ammonia Solution, Strong SCHEMBL28156672 | 0.85 | CYP3A4 (0.54) | KEAP1ALDH1A1CYP3A4TDP1TSHR | |
| Formic Acid Methyl Ester SCHEMBL28237553 | 0.85 | ALDH1A1 (0.42) | KEAP1ALDH1A1CYP3A4TDP1TSHR | |
| Nitrogen SCHEMBL28363310 | 0.83 | CYP3A4 (0.52) | KEAP1ALDH1A1CYP3A4TDP1TSHR | |
| Formic Acid SCHEMBL28032861 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP3A4MEN1NPC1RAB9A | |
| Formic Acid SCHEMBL28834640 | 0.79 | ALDH1A1 (0.74) | KEAP1ALDH1A1TDP1HDAC1 | |
| SCHEMBL8943124 | 0.79 | CYP3A4 (0.48) | KEAP1ALDH1A1CYP3A4TDP1TSHR | |
| Formic Acid SCHEMBL23716950 | 0.76 | TDP1 (0.33) | CYP3A4TDP1TSHRMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102149712-A | Pyrazolo [3,4-b ] pyridine Raf inhibitors | ARRAY BIOPHARMA INC | 2011-08-10 | — | — | CN | disclosed |
| CN-102015707-A | RAF inhibitor compounds and methods of use thereof | ARRAY BIOPHARMA INC | 2011-04-13 | — | — | CN | disclosed |