Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24253870 | 0.77 | CYP2D6 (0.56) | CYP2D6CYP2C19MAPTRAB9ANPC1 | |
| SCHEMBL14413284 | 0.76 | CYP3A4 (0.68) | CYP3A4CYP2D6CYP2C19MAPTESR1 | |
| SCHEMBL13533524 | 0.73 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C19MAPTESR1 | |
| SCHEMBL13452253 | 0.71 | KMT2A (0.65) | CYP3A4CYP2D6CYP2C19MAPTESR1 | |
| SCHEMBL13612755 | 0.70 | RAB9A (0.72) | CYP3A4CYP2D6CYP2C19MAPTRAB9A | |
| SCHEMBL256088 | 0.70 | L3MBTL1 (0.60) | MAPTRAB9ANPC1KMT2ATHRB | |
| SCHEMBL13873287 | 0.70 | EPHX2 (0.77) | CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL13452255 | 0.70 | NPC1 (0.60) | CYP3A4CYP2D6CYP2C19MAPTESR1 | |
| SCHEMBL4767666 | 0.69 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C19MAPTESR1 | |
| SCHEMBL13452062 | 0.69 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C19MAPTESR1 |
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-2022034587-A1 | Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF | TNIK THERAPEUTICS LTD (IL) | 2022-02-17 | — | — | WO | disclosed |