Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.34 |
| ▸ | MAOB | P27338 | 5/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14401010 | 0.91 | MAPT (0.40) | NPC1RAB9AMAPTCYP2C9POLB | |
| SCHEMBL17298641 | 0.90 | MAPT (0.39) | NPC1RAB9AMAPTCYP2C9POLB | |
| SCHEMBL23951147 | 0.90 | NPC1 (0.46) | NPC1RAB9AMAPTCYP2C9POLB | |
| SCHEMBL13536941 | 0.90 | NPC1 (0.44) | NPC1RAB9AMAPTCYP2C9POLB | |
| SCHEMBL24284038 | 0.84 | CA12 (0.33) | NPC1RAB9AMAPTLMNACA12 | |
| SCHEMBL13866453 | 0.83 | CA12 (0.40) | MAPTCYP2C9LMNACA12CA1 | |
| SCHEMBL14116424 | 0.82 | CA12 (0.39) | MAPTPOLBLMNACA12CA1 | |
| SCHEMBL15457961 | 0.79 | SMN1; SMN2 (0.43) | NPC1RAB9AMAPTCYP2C9POLB | |
| SCHEMBL18823083 | 0.78 | MAPT (0.41) | NPC1RAB9AMAPTLMNAALDH1A1 | |
| SCHEMBL22920572 | 0.78 | MAPT (0.37) | NPC1RAB9AMAPTCYP2C9POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3985081-A1 | ISOPHTHALONITRILE COMPOUNDS, LUMINESCENT MATERIAL, AND LUMINESCENT ELEMENT INCLUDING SAME | Kyushu University, National University Corporation (JP) | 2022-04-20 | — | — | EP | disclosed |