Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GRN | P28799 | 3/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | KLF5 | Q13887 | 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 | |
|---|---|---|---|---|
| SCHEMBL179489 | 0.85 | — | — | |
| SCHEMBL29798423 | 0.83 | HPGD (0.37) | HPGDTSHR | |
| Ammonia Solution, Strong SCHEMBL22505596 | 0.83 | HPGD (0.37) | HPGDTSHR | |
| SCHEMBL3419918 | 0.81 | MAPT (0.42) | MAPTKMT2ACDK8LTKMEN1 | |
| SCHEMBL5291126 | 0.79 | CYP1A2 (0.35) | HPGDMAPTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL29168221 | 0.78 | — | — | |
| SCHEMBL20916432 | 0.78 | HPGD (0.34) | HPGDTSHR | |
| SCHEMBL17183607 | 0.78 | HPGD (0.34) | HPGDTSHR | |
| Pyridine SCHEMBL28480169 | 0.77 | TSHR (0.39) | HPGDTSHR | |
| SCHEMBL3422617 | 0.76 | MAPT (0.47) | MAPTKMT2ASMN1; SMN2KDM4ECYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |
| WO-2016202759-A1 | CYTOTOXIC SUBSTITUTED 2-(1 H-PYRAZOL-1 -YL)-1,3-BENZOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-12-22 | — | — | WO | disclosed |