Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ITK | Q08881 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2362528 | 0.92 | ALDH1A1 (0.54) | ALDH1A1NPSR1KMT2AITKMAPT | |
| SCHEMBL2288522 | 0.89 | ALDH1A1 (0.57) | ALDH1A1NPSR1KMT2AITKMAPT | |
| SCHEMBL12518623 | 0.87 | ALDH1A1 (0.70) | ALDH1A1NPSR1KMT2AMAPTHTT | |
| SCHEMBL21443465 | 0.86 | ALDH1A1 (0.50) | ALDH1A1NPSR1KMT2AITKMAPT | |
| SCHEMBL21443521 | 0.84 | ITK (0.49) | ALDH1A1NPSR1KMT2AITKLMNA | |
| SCHEMBL13498141 | 0.83 | ALDH1A1 (0.52) | ALDH1A1NPSR1KMT2AMAPTHTT | |
| SCHEMBL12519591 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NPSR1KMT2AMAPTHTT | |
| SCHEMBL18720123 | 0.78 | ITK (0.48) | ALDH1A1NPSR1KMT2AITKMAPT | |
| SCHEMBL13498135 | 0.77 | SYK (0.55) | ALDH1A1KMT2AITKMAPTHTT | |
| SCHEMBL16670315 | 0.76 | KMT2A (0.50) | ALDH1A1NPSR1KMT2AMAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3549934-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Celgene CAR LLC (BM) | 2019-10-09 | — | — | EP | disclosed |