Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 10/20 | 0.48 |
| ▸ | GRM5 | P41594 | 10/20 | 0.48 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29766107 | 1.00 | GRM1 (0.48) | GRM1GRM5CDK9PDK4GPR119 | |
| SCHEMBL29766150 | 0.91 | GRM1 (0.50) | GRM1GRM5CDK9PDK4GPR119 | |
| SCHEMBL20760680 | 0.91 | GRM1 (0.50) | GRM1GRM5CDK9PDK4GPR119 | |
| SCHEMBL20760484 | 0.86 | GRM1 (0.60) | GRM1GRM5CDK9PDK4CCNT1 | |
| SCHEMBL28365163 | 0.85 | TRPV1 (0.41) | — | |
| SCHEMBL20759621 | 0.82 | GRM1 (0.53) | GRM1GRM5CDK9PDK4GPR119 | |
| SCHEMBL20760645 | 0.81 | MAPT (0.52) | GRM1GRM5PDK4GPR119NAMPT | |
| SCHEMBL19703157 | 0.81 | NAMPT (0.53) | GRM1GRM5CDK9PDK4CYP11B2 | |
| SCHEMBL15756312 | 0.80 | GRM1 (0.59) | GRM1GRM5CDK9PDK4GPR119 | |
| SCHEMBL29138576 | 0.80 | GRM1 (0.53) | GRM1GRM5PDK4GPR119CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110891953-B | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-110891953-A | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2020-03-17 | — | — | CN | disclosed |
| WO-2019034128-A1 | PYRROLOTRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | 浙江海正药业股份有限公司 | 2019-02-21 | — | — | WO | disclosed |