Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 4/20 | 0.48 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | CTSA | P10619 | 4/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17674395 | 0.83 | NTRK3 (0.52) | NTRK1NTRK3KDM4EALDH1A1HPGD | |
| SCHEMBL17674391 | 0.81 | NTRK1 (0.60) | NTRK1NTRK3CTSA | |
| SCHEMBL17674288 | 0.78 | NTRK1 (0.59) | NTRK1NTRK3HCRTR1HCRTR2CTSA | |
| SCHEMBL17674286 | 0.78 | NTRK1 (0.48) | NTRK1NTRK3KDM4EALDH1A1HPGD | |
| SCHEMBL17674258 | 0.75 | KDM4E (0.46) | NTRK1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL17674413 | 0.73 | KDM4E (0.43) | NTRK1NTRK3KDM4EALDH1A1HPGD | |
| SCHEMBL27830572 | 0.72 | ACLY (0.47) | NTRK1 | |
| SCHEMBL17680336 | 0.71 | NTRK1 (0.52) | NTRK1NTRK3ALDH1A1 | |
| SCHEMBL3309831 | 0.70 | GRM2 (0.38) | NTRK1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL31196173 | 0.69 | AOC3 (0.47) | ALDH1A1HPGDHSD17B10 |
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-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |