Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 6/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 6/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL13066524 | 0.87 | MEN1 (0.46) | KIF11POLBPTGS1PTGS2MEN1 | |
| SCHEMBL13430367 | 0.85 | POLB (0.54) | POLBPTGS1PTGS2NPC1ALDH1A1 | |
| SCHEMBL13066522 | 0.84 | SMN1; SMN2 (0.46) | POLBPTGS1PTGS2MAPTHTT | |
| SCHEMBL13683096 | 0.82 | LMNA (0.46) | POLBNPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL14039660 | 0.76 | POLB (0.41) | POLBPTGS1PTGS2MAPTSMN1; SMN2 | |
| SCHEMBL16200057 | 0.74 | MAPK14 (0.42) | KIF11MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL13682914 | 0.74 | P2RX7 (0.44) | POLBKMT2ANPC1ALDH1A1HTT | |
| SCHEMBL14139212 | 0.72 | POLB (0.40) | POLBALDH1A1HTT | |
| SCHEMBL16200074 | 0.72 | POLB (0.40) | POLBPTGS1PTGS2SMN1; SMN2 | |
| SCHEMBL8552045 | 0.71 | PTGS1 (0.54) | POLBPTGS1PTGS2MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |
| US-8324216-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |