Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 5/20 | 0.43 |
| ▸ | FAAH | O00519 | 3/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL940131 | 0.90 | ALDH1A1 (0.60) | ALDH1A1ADRB2KMT2ASIRT2HTT | |
| Hydrochloric Acid SCHEMBL28193722 | 0.89 | ALDH1A1 (0.58) | ALDH1A1ADRB2KMT2ASIRT2HTT | |
| SCHEMBL4735612 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ADRB2KMT2ASIRT2MAPT | |
| SCHEMBL3376462 | 0.80 | SIRT2 (0.50) | ALDH1A1ADRB2KMT2ASIRT2MAPT | |
| SCHEMBL29410986 | 0.80 | BID (0.51) | ALDH1A1ADRB2KMT2ASIRT2MAPT | |
| SCHEMBL3233027 | 0.80 | SIRT2 (0.54) | KMT2ASIRT2MAPT | |
| Trifluoroacetic Acid SCHEMBL20262609 | 0.79 | FFAR1 (0.59) | ALDH1A1TSHRSMN1; SMN2FFAR1CES1 | |
| SCHEMBL11901439 | 0.79 | SIRT2 (0.64) | ALDH1A1ADRB2KMT2ASIRT2MAPT | |
| SCHEMBL5723969 | 0.79 | CYP19A1 (0.50) | ALDH1A1ADRB2KMT2ASIRT2HTT | |
| SCHEMBL3243688 | 0.78 | KMT2A (0.45) | ALDH1A1ADRB2KMT2ASIRT2KDM4E |
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-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | claimed |