Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD40 | P25942 | 3/20 | 0.68 |
| ▸ | CD40LG | P29965 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TYMS | P04818 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11431874 | 0.90 | CD40 (0.56) | CD40CD40LGNPC1DUSP3PTPN5 | |
| SCHEMBL11425182 | 0.85 | MAPT (0.57) | CD40CD40LGNPC1MAPTRAB9A | |
| SCHEMBL19021224 | 0.84 | CD40 (0.92) | CD40CD40LGNPC1DUSP3PTPN5 | |
| SCHEMBL11436100 | 0.84 | CD40 (0.49) | CD40CD40LGCASP6MAPTALDH1A1 | |
| SCHEMBL11500547 | 0.83 | CD40 (0.61) | CD40CD40LGNPC1DUSP3PTPN5 | |
| SCHEMBL11433131 | 0.83 | CD40 (0.69) | CD40CD40LGNPC1DUSP3PTPN5 | |
| SCHEMBL11343060 | 0.83 | TIMP3 (0.56) | CD40CD40LGKDRMAPTALDH1A1 | |
| SCHEMBL10907834 | 0.83 | CD40 (0.56) | CD40CD40LGKDRMAPTALDH1A1 | |
| SCHEMBL11434114 | 0.83 | APEX1 (0.60) | CD40CD40LGNPC1DUSP3PTPN5 | |
| SCHEMBL20590980 | 0.81 | CD40 (1.00) | CD40CD40LGNPC1DUSP3PTPN5 |
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 |
|---|---|---|---|---|---|---|---|
| US-4216166-A | Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction | AMERICAN CYANAMID COMPANY (US) | 1980-08-05 | — | — | US | disclosed |