Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 5/20 | 0.62 |
| ▸ | PDPK1 | O15530 | 5/20 | 0.59 |
| ▸ | PAK4 | O96013 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30997331 | 0.77 | NTRK1 (1.00) | NTRK1PDPK1 | |
| SCHEMBL29264959 | 0.77 | NTRK1 (1.00) | NTRK1PDPK1 | |
| SCHEMBL29264961 | 0.77 | NTRK1 (1.00) | NTRK1PDPK1 | |
| SCHEMBL3749915 | 0.76 | PDPK1 (0.62) | NTRK1PDPK1PAK4MAPTHSP90AA1 | |
| SCHEMBL3749912 | 0.76 | PDPK1 (0.62) | NTRK1PDPK1PAK4MAPTHSP90AA1 | |
| SCHEMBL5358233 | 0.76 | PDPK1 (0.62) | NTRK1PDPK1PAK4MAPTALDH1A1 | |
| SCHEMBL5999571 | 0.76 | PDPK1 (0.65) | NTRK1PDPK1PAK4RET | |
| SCHEMBL24967152 | 0.76 | PDPK1 (0.65) | NTRK1PDPK1PAK4MAPTALDH1A1 | |
| SCHEMBL18499300 | 0.76 | PDPK1 (0.62) | NTRK1PDPK1PAK4ALDH1A1HTT | |
| SCHEMBL3747230 | 0.76 | NTRK1 (0.65) | NTRK1PDPK1PAK4MAPTALDH1A1 |
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-3204002-B1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS | INTERNATIONAL SOC FOR DRUG DEVELOPMENT S R L (IT) | 2021-05-19 | — | — | EP | claimed |