Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27791206 | 1.00 | TSHR (0.42) | TSHRHTR2CLTA4HMAOBGLA | |
| SCHEMBL27939939 | 1.00 | TSHR (0.42) | TSHRHTR2CLTA4HMAOBGLA | |
| SCHEMBL28270587 | 0.84 | TSHR (0.46) | TSHRHTR2CGLASLC6A2SLC6A4 | |
| Piperazine SCHEMBL28083640 | 0.84 | TACR1 (0.42) | TSHRHTR2CMAOBHTR2ALMNA | |
| Piperazine SCHEMBL27484195 | 0.84 | TACR1 (0.42) | TSHRHTR2CMAOBHTR2ALMNA | |
| SCHEMBL28796114 | 0.83 | LTA4H (0.46) | TSHRHTR2CLTA4HMAOBGLA | |
| Piperazine SCHEMBL28258210 | 0.82 | TACR1 (0.41) | TSHRHTR2CMAOBHTR2ALMNA | |
| SCHEMBL28139300 | 0.82 | TSHR (0.42) | TSHRHTR2CMAOBHTR2ASLC6A2 | |
| Azetidine SCHEMBL27976635 | 0.81 | TSHR (0.41) | TSHRHTR2CMAOBLMNASLC6A2 | |
| SCHEMBL27825232 | 0.81 | TSHR (0.49) | TSHRHTR2CLTA4HGLA |
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-109311867-A | Conjugate comprising RIPK2 inhibitor | 葛兰素史克知识产权开发有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-105793238-A | Substituted benzamides and methods of use thereof | 基因泰克公司 | 2016-07-20 | — | — | CN | disclosed |