Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | GOT1 | P17174 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5026814 | 0.83 | P2RX7 (0.55) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL28757387 | 0.81 | P2RX7 (0.46) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL1479818 | 0.80 | P2RX7 (0.52) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL28418161 | 0.80 | P2RX7 (0.52) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL6602091 | 0.80 | P2RX7 (0.56) | P2RX7AHRKMT2AMEN1CES1 | |
| Hydrochloric Acid SCHEMBL28798671 | 0.79 | P2RX7 (0.51) | P2RX7AHRKMT2AMEN1CES1 | |
| Hydrochloric Acid SCHEMBL29205819 | 0.78 | P2RX7 (0.55) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL27539765 | 0.78 | P2RX7 (0.55) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL27708372 | 0.77 | P2RX7 (0.49) | P2RX7AHRKMT2AMEN1CES1 | |
| SCHEMBL667511 | 0.77 | — | — |
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-114901658-A | Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof | 四川海思科制药有限公司 | 2022-08-12 | — | — | CN | disclosed |