Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.57 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.57 |
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.57 |
| ▸ | DRD1 known ✓ | P21728 | 3/20 | 0.57 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.57 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.57 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.57 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.57 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.57 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.57 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.57 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.57 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.57 |
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.57 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.79 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Isothipendyl SCHEMBL19555662 | 0.99 | KMT2A (0.81) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL230214 | 0.90 | KMT2A (0.97) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL29500369 | 0.90 | KMT2A (0.97) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL30017997 | 0.89 | KMT2A (1.00) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL29234 | 0.89 | KMT2A (1.00) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL28682222 | 0.88 | KMT2A (0.81) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Promethazine SCHEMBL2118132 | 0.87 | CYP2D6 (0.76) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Promethazine SCHEMBL3682874 | 0.87 | CYP2D6 (0.76) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL507004 | 0.84 | LMNA (0.63) | KMT2ALMNAMAPTMAPK1SMN1; SMN2 | |
| Isothipendyl SCHEMBL2556455 | 0.83 | LMNA (0.64) | KMT2ALMNAHIF1APMP22BLM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3423100-A1 | COMPOSITIONS FOR TREATING INFLAMMATION AND METHODS OF TREATING THE SAME | Novan, Inc. (US) | 2019-01-09 | — | — | EP | disclosed |
| US-20150118285-A1 | PHARMACEUTICAL CARRIER DEVICE SUITABLE FOR DELIVERY OF PHARMACEUTICAL COMPOUNDS TO MUCOSAL SURFACES | ARIUS TWO, INC. | 2015-04-30 | — | — | US | disclosed |
| EP-1660101-A1 | LIQUID FORMULATIONS FOR THE PREVENTION AND TREATMENT OF MUCOSAL DISEASES AND DISORDERS | Access Pharmaceuticals, Inc. (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005027939-A1 | LIQUID FORMULATIONS FOR THE PREVENTION AND TREATMENT OF MUCOSAL DISEASES AND DISORDERS | ACCESS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1156765-A4 | HEMOSTATIC POLYMER USEFUL FOR RAPID BLOOD COAGULATION AND HEMOSTASIS | POLYMER BIOSCIENCES INC (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1156765-A1 | HEMOSTATIC POLYMER USEFUL FOR RAPID BLOOD COAGULATION AND HEMOSTASIS | Polymer Biosciences, Inc. (US) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000027327-A1 | HEMOSTATIC POLYMER USEFUL FOR RAPID BLOOD COAGULATION AND HEMOSTASIS | POLYMER BIOSCIENCES, INC. (US) | 2000-05-18 | — | — | WO | disclosed |