Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.42 |
| ▸ | CTSS | P25774 | 7/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8270720 | 0.95 | CTSK (0.43) | CTSKCTSSCTSLMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5792604 | 0.91 | CTSK (0.43) | CTSKCTSSCTSLMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5794085 | 0.88 | CTSS (0.36) | CTSKCTSSCTSL | |
| Trifluoroacetic Acid SCHEMBL5791713 | 0.87 | CTSK (0.37) | CTSKCTSSCTSL | |
| Trifluoroacetic Acid SCHEMBL5791900 | 0.85 | CTSK (0.44) | CTSKCTSSCTSLKMT2AKDM4E | |
| SCHEMBL8270726 | 0.85 | CTSK (0.45) | CTSKCTSSCTSLMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5794377 | 0.83 | CTSK (0.42) | CTSKCTSSCTSL | |
| Trifluoroacetic Acid SCHEMBL5791505 | 0.82 | LMNA (0.40) | CTSKMEN1KMT2ARAB9ANPC1 | |
| SCHEMBL5792642 | 0.82 | CTSK (0.36) | CTSKCTSSCTSLMEN1KMT2A | |
| SCHEMBL5791557 | 0.81 | CTSK (0.36) | CTSKCTSSCTSL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | claimed |
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |