Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1671008 | 0.71 | ADRB2 (0.32) | CYP2A6ADRB2 | |
| SCHEMBL2342778 | 0.70 | PDPK1 (0.47) | PDPK1LOXL2CYP2A6HSP90AA1RAB9A | |
| SCHEMBL578376 | 0.70 | PDPK1 (0.52) | PDPK1LOXL2CYP2A6HSP90AA1CYP1A2 | |
| SCHEMBL28020115 | 0.69 | PDPK1 (0.50) | PDPK1LOXL2CYP2A6HSP90AA1CYP1A1 | |
| SCHEMBL4721859 | 0.69 | RAB9A (0.49) | PDPK1LOXL2CYP2A6HSP90AA1RAB9A | |
| SCHEMBL29118010 | 0.68 | KDM4E (0.41) | CYP2A6CYP1A2RAB9AKMT2ANPC1 | |
| SCHEMBL29014149 | 0.67 | KDM4E (0.48) | CYP2A6HSP90AA1CYP1A2RAB9AMETAP1 | |
| SCHEMBL28045453 | 0.67 | PDPK1 (0.39) | PDPK1LOXL2CYP2A6HSP90AA1CYP1A1 | |
| SCHEMBL4719613 | 0.66 | RAB9A (0.45) | PDPK1LOXL2CYP2A6HSP90AA1CYP1A1 | |
| SCHEMBL102331 | 0.66 | PDPK1 (0.59) | PDPK1LOXL2CYP2A6HSP90AA1RAB9A |
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-116217593-A | Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof | 江苏恩华药业股份有限公司 | 2023-06-06 | — | — | CN | disclosed |