Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | YAP1 | P46937 | 1/20 | 0.44 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24377947 | 0.87 | YAP1 (0.49) | TP53MEN1KMT2APKMLMNA | |
| SCHEMBL29516124 | 0.83 | TP53 (0.49) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL24378122 | 0.83 | TP53 (0.49) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL26938741 | 0.83 | TP53 (0.47) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL24378149 | 0.75 | KMT2A (0.49) | SMN1; SMN2TP53MEN1KMT2ALMNA | |
| SCHEMBL29516475 | 0.75 | KMT2A (0.49) | SMN1; SMN2TP53MEN1KMT2ALMNA | |
| SCHEMBL26939715 | 0.74 | SIRT1 (0.47) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL26939793 | 0.74 | KMT2A (0.40) | ALDH1A1SMN1; SMN2TP53MEN1KMT2A | |
| SCHEMBL26938749 | 0.73 | POLB (0.44) | SMN1; SMN2TP53MEN1KMT2AGAA | |
| SCHEMBL24378019 | 0.72 | SIRT1 (0.48) | TP53GAAPOLB |
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-2022087433-A1 | COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-04-28 | — | — | WO | disclosed |