Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL21835621 | 1.00 | HTR2C (0.35) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835531 | 0.93 | HTR2C (0.34) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835532 | 0.93 | HTR2C (0.34) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835507 | 0.91 | HTR2C (0.33) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835508 | 0.91 | HTR2C (0.33) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835551 | 0.87 | HTR2C (0.35) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835552 | 0.87 | HTR2C (0.35) | HTR2CSLC6A4HTR2A | |
| SCHEMBL21835539 | 0.80 | — | — | |
| SCHEMBL21835540 | 0.80 | — | — | |
| SCHEMBL21835452 | 0.72 | ALDH1A1 (0.33) | — |
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 |