Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL38661306 | 0.79 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA7CHRNA3MEN1 | |
| SCHEMBL9592443 | 0.79 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA7CHRNA3MEN1 | |
| SCHEMBL27610284 | 0.77 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL8804137 | 0.76 | RECQL (0.39) | CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL13114845 | 0.73 | CHRNB2 (0.65) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL21193413 | 0.73 | ROCK2 (0.32) | PARP1ROCK2ROCK1 | |
| SCHEMBL9271325 | 0.72 | PARP1 (0.32) | PARP1 | |
| SCHEMBL451612 | 0.71 | SLC18A3 (0.43) | MEN1KMT2ACYP2C9 | |
| SCHEMBL1638075 | 0.71 | SLC18A3 (0.43) | MEN1KMT2ACYP2C9 | |
| SCHEMBL1639225 | 0.71 | SLC18A3 (0.43) | MEN1KMT2ACYP2C9 |
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-2023105491-A1 | 5,6,7,8-TETRAHYDRO-2,6-NAPHTHYRIDINE DERIVATIVES AS CANCER THERAPEUTICS | VRISE THERAPEUTICS, INC. (US) | 2023-06-15 | — | — | WO | disclosed |