Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isothipendyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 9/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.52 |
| ▸ | DRD3 | P35462 | 8/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.52 |
| ▸ | HTR1A | P08908 | 6/20 | 0.52 |
| ▸ | DRD1 | P21728 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.52 |
| ▸ | HTR2A | P28223 | 5/20 | 0.52 |
| ▸ | HTR2C | P28335 | 5/20 | 0.52 |
| ▸ | HTR2B | P41595 | 5/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Promethazine SCHEMBL21518122 | 0.88 | LMNA (0.67) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Isothipendyl SCHEMBL29234 | 0.85 | KMT2A (1.00) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Isothipendyl SCHEMBL30017997 | 0.85 | KMT2A (1.00) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Isothipendyl SCHEMBL29500369 | 0.84 | KMT2A (0.97) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Isothipendyl SCHEMBL230214 | 0.84 | KMT2A (0.97) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Promethazine SCHEMBL6241690 | 0.83 | CHRM2 (0.62) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Promethazine SCHEMBL28860403 | 0.80 | KMT2A (0.77) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Promethazine SCHEMBL9353148 | 0.79 | CHRM2 (0.52) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Isothipendyl SCHEMBL28682222 | 0.78 | KMT2A (0.81) | KMT2ACHRM2CYP2D6CHRM1OPRM1 | |
| Isothipendyl SCHEMBL19555662 | 0.78 | KMT2A (0.81) | KMT2ACHRM2CYP2D6CHRM1OPRM1 |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |