Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL15819145 | 0.79 | ADORA2A (0.41) | PDPK1CYP1A1CYP1A2CYP1B1RAB9A | |
| SCHEMBL15819515 | 0.79 | PDPK1 (0.39) | PDPK1RAB9ANPC1KMT2ASYK | |
| SCHEMBL28007978 | 0.79 | SYK (0.40) | PDPK1SYKLOXL2CYP2A6ADORA2A | |
| SCHEMBL578376 | 0.73 | PDPK1 (0.52) | PDPK1CYP1A2RAB9ANPC1PKM | |
| SCHEMBL15668705 | 0.69 | SYK (0.49) | PDPK1CYP1A1CYP1A2CYP1B1F2RL1 | |
| SCHEMBL2126189 | 0.68 | PDPK1 (0.45) | PDPK1RAB9ASYKLOXL2CYP2A6 | |
| SCHEMBL173979 | 0.68 | PDPK1 (0.60) | PDPK1CYP1A1CYP1A2CYP1B1KMT2A | |
| SCHEMBL5281380 | 0.68 | MAPT (0.41) | CYP1A2RAB9ANPC1KMT2AADORA2A | |
| SCHEMBL5912405 | 0.68 | F2RL1 (0.51) | PDPK1CYP1A1CYP1A2CYP1B1F2RL1 | |
| SCHEMBL22092969 | 0.67 | NMT1 (0.34) | CYP1A2RAB9ANPC1KMT2ASMN1; SMN2 |
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-101273027-B | The macrocyclic hcv inhibitors of hepatitis C virus | JANSSEN R&D IRELAND (IE) | 2015-12-02 | — | — | CN | disclosed |