Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | L3MBTL3 | Q96JM7 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MBTD1 | Q05BQ5 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | 0.86 | CYP2D6 (0.56) | CYP2D6CYP1A2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL24253971 | 0.81 | CYP2D6 (0.48) | CYP2D6CYP1A2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL4018680 | 0.80 | CYP1A2 (0.69) | CYP2D6CYP1A2LRRK2MAPTSMN1; SMN2 | |
| SCHEMBL24253780 | 0.79 | CYP2D6 (0.48) | CYP2D6CYP1A2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL13645932 | 0.78 | CYP1A2 (0.69) | CYP2D6CYP1A2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL31323039 | 0.77 | SMN1; SMN2 (0.66) | CYP2D6CYP1A2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL21766914 | 0.75 | CYP2D6 (0.65) | CYP2D6CYP1A2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL8149995 | 0.74 | CYP1A2 (0.67) | CYP2D6CYP1A2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL310306 | 0.74 | L3MBTL3 (0.55) | LRRK2MAPTMEN1HTTKMT2A | |
| SCHEMBL4993839 | 0.74 | CYP1A2 (0.67) | CYP2D6CYP1A2SMN1; SMN2MEN1KMT2A |
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 |