Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7268 | 0.90 | KMT2A (0.68) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL537642 | 0.89 | CHRNA7 (0.60) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL18542682 | 0.89 | KMT2A (0.54) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL28625965 | 0.89 | KMT2A (0.67) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL537295 | 0.88 | KMT2A (0.56) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL16797270 | 0.87 | KMT2A (0.52) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL21350911 | 0.85 | KMT2A (0.57) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL952061 | 0.85 | FAAH (0.53) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL16598061 | 0.85 | KMT2A (0.57) | KMT2AGAAMAPTCA9POLB | |
| SCHEMBL1143459 | 0.81 | POLB (0.60) | KMT2AGAAMAPTPOLBTP53 |
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-2015048662-A2 | SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE | X-RX DISCOVERY, INC. (US) | 2015-04-02 | — | — | WO | disclosed |