Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4782911 | 0.86 | MEN1 (0.46) | ALDH1A1KMT2AKDM4EMEN1TNFRSF1A | |
| SCHEMBL724655 | 0.85 | PTGS1 (0.51) | ALDH1A1KMT2AKDM4EMEN1VCAM1 | |
| SCHEMBL4783649 | 0.84 | VCAM1 (0.39) | ALDH1A1KMT2AKDM4EMEN1TNFRSF1A | |
| SCHEMBL27871656 | 0.83 | TNFRSF1A (0.49) | ALDH1A1KMT2AKDM4EMEN1TNFRSF1A | |
| SCHEMBL2772923 | 0.81 | TNFRSF1A (0.48) | ALDH1A1KMT2AKDM4EMEN1TNFRSF1A | |
| SCHEMBL8947133 | 0.81 | KDM4E (0.62) | ALDH1A1KMT2AKDM4EMEN1TNFRSF1A | |
| SCHEMBL20307621 | 0.80 | ALDH1A1 (0.77) | ALDH1A1KMT2AKDM4EMEN1TNFRSF1A | |
| SCHEMBL5677096 | 0.79 | TNFRSF1A (0.51) | ALDH1A1KDM4ETNFRSF1ACYP3A4TDP1 | |
| SCHEMBL9729410 | 0.77 | KMT2A (0.76) | ALDH1A1KMT2AKDM4EMEN1TDP1 | |
| SCHEMBL4730730 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KMT2AKDM4EMEN1LMNA |
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-2008052288-A1 | DITHIOLE COMPOUNDS AS COX INHIBITORS | NEURO THERAPEUTICS LIMITED (AU) | 2008-05-08 | — | — | WO | disclosed |
| WO-2008052288-A1 | DITHIOLE COMPOUNDS AS COX INHIBITORS | NEURO THERAPEUTICS LIMITED (AU) | 2008-05-08 | — | — | WO | disclosed |