Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 7/20 | 0.32 |
| ▸ | GPR174 | Q9BXC1 | 3/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21835452 | 1.00 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2ANTRK1GPR174 | |
| SCHEMBL29382720 | 0.89 | ALOX15 (0.38) | NTRK1GPR174JAK2SMN1; SMN2OPRK1 | |
| SCHEMBL21835551 | 0.73 | HTR2C (0.35) | — | |
| SCHEMBL21835552 | 0.73 | HTR2C (0.35) | — | |
| SCHEMBL21835532 | 0.73 | HTR2C (0.34) | — | |
| SCHEMBL21835531 | 0.73 | HTR2C (0.34) | — | |
| SCHEMBL21835540 | 0.72 | — | — | |
| SCHEMBL21835539 | 0.72 | — | — | |
| SCHEMBL31727317 | 0.72 | CUL4A (0.45) | SMN1; SMN2 | |
| SCHEMBL31727712 | 0.68 | MAPT (0.42) | ALDH1A1SMN1; SMN2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3856745-A1 | MACROCYCLIC INHIBITORS OF ALK, TRKA, TRKB, AND ROS1 | Dana Farber Cancer Institute, Inc. (US) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020069118-A1 | MACROCYCLIC INHIBITORS OF ALK, TRKA, TRKB, AND ROS1 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-04-02 | — | — | WO | disclosed |