Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 5/20 | 0.41 |
| ▸ | CDK9 | P50750 | 5/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.35 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29766129 | 1.00 | CCNT1 (0.41) | CCNT1CDK9KCNQ3KCNQ2KCNE1 | |
| SCHEMBL20760832 | 0.89 | VNN1 (0.44) | CCNT1CDK9KCNQ3KCNQ2SIGMAR1 | |
| SCHEMBL20760623 | 0.83 | NPC1 (0.44) | CCNT1CDK9SIGMAR1HTR2CVNN1 | |
| SCHEMBL20760419 | 0.78 | CDK9 (0.45) | CCNT1CDK9HTR2CHTR6 | |
| SCHEMBL28365163 | 0.76 | TRPV1 (0.41) | KCNQ3KCNQ2KCNE1KCNQ1KCNQ5 | |
| SCHEMBL29766145 | 0.75 | RXFP1 (0.48) | HTR2CVNN1HTR6 | |
| SCHEMBL29531318 | 0.72 | GABRP (0.49) | CCNT1CDK9SIGMAR1HTR2CFTO | |
| SCHEMBL27561994 | 0.71 | SRD5A2 (0.53) | KCNQ3KCNQ2KCNE1KCNQ1KCNQ5 | |
| SCHEMBL29766107 | 0.71 | GRM1 (0.48) | CCNT1CDK9 | |
| SCHEMBL20760865 | 0.71 | GRM1 (0.48) | CCNT1CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |