Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.63 |
| ▸ | RAB9A | P51151 | 13/20 | 0.63 |
| ▸ | PKM | P14618 | 8/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.63 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.63 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KLF5 | Q13887 | 3/20 | 0.51 |
| ▸ | TNF | P01375 | 2/20 | 0.51 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18653617 | 0.84 | NPC1 (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL23128546 | 0.84 | NPC1 (0.52) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL22043747 | 0.84 | RAB9A (0.49) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL4862366 | 0.79 | NPC1 (0.57) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL22044257 | 0.79 | CYP2D6 (0.66) | NPC1RAB9APKMKMT2ASMN1; SMN2 | |
| SCHEMBL22735838 | 0.75 | NPC1 (0.49) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL10157708 | 0.73 | LMNA (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL2931559 | 0.73 | LMNA (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL22872697 | 0.73 | LMNA (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL9595248 | 0.73 | NPC1 (0.57) | NPC1RAB9APKMCDK5CDK5R1 |
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-2020108720-A1 | NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING | Københavns Universitet (DK) | 2020-06-04 | — | — | WO | disclosed |