Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CTSV | O60911 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17266937 | 0.88 | LIPG (0.41) | CTSVCTSLGCGRMAPK14GPR84 | |
| SCHEMBL16328684 | 0.78 | NPC1 (0.43) | NPC1RAB9ACTSVCTSLMEN1 | |
| SCHEMBL9699651 | 0.75 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2AGCGR | |
| SCHEMBL26136285 | 0.74 | CYP4F2 (0.52) | MEN1KMT2AGCGR | |
| SCHEMBL27837790 | 0.74 | HSD11B1 (0.39) | GPR84PSMB5ADORA3ADORA2AADORA1 | |
| Biphenyl SCHEMBL27954388 | 0.72 | LIPG (0.48) | GPR84ADORA3 | |
| SCHEMBL13524542 | 0.71 | CCNB2 (0.43) | NPC1RAB9A | |
| SCHEMBL23046460 | 0.70 | CNR1 (0.41) | MEN1KMT2AGPR84PSMB5ADORA3 | |
| SCHEMBL11994182 | 0.70 | GAA (0.47) | ADORA3ADORA2A | |
| SCHEMBL24988650 | 0.69 | CTSV (0.45) | NPC1RAB9ACTSVCTSLMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103288700-B | Polysubstituted 3, 3'-dipyrrole, its derivative and preparation method | UNIV TSINGHUA | 2015-04-22 | — | — | CN | disclosed |