Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13509078 | 0.85 | DHODH (0.40) | DHODHMAOAMAOBPTGS1PTGS2 | |
| SCHEMBL13510736 | 0.85 | DHODH (0.40) | DHODHMAOAMAOBPTGS1PTGS2 | |
| SCHEMBL8214339 | 0.79 | KDM4E (0.43) | PTGS1PTGS2KDM4EHTTTOP1 | |
| SCHEMBL8205966 | 0.77 | KMT2A (0.48) | ALDH1A1KDM4EHTTHSD17B10NSD3 | |
| SCHEMBL31051044 | 0.75 | DHODH (0.50) | DHODHMAOAMAOBPTGS1PTGS2 | |
| SCHEMBL3876408 | 0.75 | DHODH (0.50) | DHODHMAOAMAOBPTGS1PTGS2 | |
| SCHEMBL28251774 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10NPC1RAB9A | |
| SCHEMBL8212224 | 0.74 | NSD3 (0.41) | ALDH1A1KDM4EGRM5NSD3PDE10A | |
| SCHEMBL8215286 | 0.69 | KMT2A (0.41) | ALDH1A1KDM4EHTTHSD17B10NSD3 | |
| SCHEMBL16200271 | 0.68 | ALDH1A1 (0.40) | DHODHMAOAMAOBALDH1A1CYP11B2 |
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-2008021960-A2 | TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |