Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL4782911 | 0.87 | MEN1 (0.46) | VCAM1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL4783009 | 0.84 | ALDH1A1 (0.49) | VCAM1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL8779698 | 0.83 | EGFR (0.48) | VCAM1ALDH1A1KDM4EEGFRTNFRSF1A | |
| SCHEMBL8903140 | 0.81 | TNFRSF1A (0.40) | EGFRTNFRSF1APTGS2 | |
| SCHEMBL4731276 | 0.81 | ESRRA (0.38) | VCAM1EGFRTNFRSF1AALOX5PTGS1 | |
| SCHEMBL9162907 | 0.80 | TSHR (0.42) | MEN1KMT2AALDH1A1EGFRTNFRSF1A | |
| SCHEMBL7987373 | 0.80 | TNFRSF1A (0.37) | VCAM1KDM4EEGFRTNFRSF1AALOX5 | |
| SCHEMBL724655 | 0.80 | PTGS1 (0.51) | VCAM1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL4728139 | 0.76 | EGFR (0.35) | VCAM1ALDH1A1KDM4EEGFRTNFRSF1A | |
| SCHEMBL7330110 | 0.75 | VCAM1 (0.39) | VCAM1KMT2AKDM4ETNFRSF1AALOX5 |
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 |