Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Way-100,635. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 9/20 | 0.90 |
| ▸ | ADRA1A known ✓ | P35348 | 5/20 | 0.90 |
| ▸ | ADRA1B known ✓ | P35368 | 4/20 | 0.90 |
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.90 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.89 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 1/20 | 1.00 |
| ▸ | DRD4 | P21917 | 4/20 | 0.90 |
| ▸ | HTR7 | P34969 | 2/20 | 0.90 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.90 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.90 |
| ▸ | TSHR | P16473 | 1/20 | 0.90 |
| ▸ | HTR1B | P28222 | 1/20 | 0.90 |
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 | |
|---|---|---|---|---|
| Way-100,635 SCHEMBL29519870 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL4077975 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL30366505 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL84178 | 0.95 | HTR1A (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL30720034 | 0.95 | HTR1A (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL29451114 | 0.95 | HTR1A (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL13398069 | 0.95 | HTR1A (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL29486911 | 0.94 | HTR1A (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL194436 | 0.94 | HTR1A (0.98) | SMN1; SMN2MEN1KMT2ALMNABLM | |
| Way-100,635 SCHEMBL6064589 | 0.94 | HTR1A (1.00) | SMN1; SMN2MEN1KMT2ALMNABLM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180064707-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING POSTTRAUMATIC STRESS DISORDER | POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) | 2018-03-08 | — | — | US | claimed |
| WO-2009090556-A2 | ARTIFICIAL REPRODUCTION OF PHARMACEUTICAL CONDITIONS OF DEPENDENCY TO TOBACCO AND OTHER ADDICTIVE DRUGS (OPIACEA, PSYCHOSTIMULANTS, ALCOHOL) BY COMBINATION OF NICOTINE AND A LIGAND (AGONIST OR 5 ANTAGONIST) OF 5-HT1A RECEPTORS | TASSIN, THOMAS (FR) | 2009-07-23 | — | — | WO | claimed |
| US-10668061-B2 | Mouse with D4R iRNA in the intercalating cell mass of the amygdala | POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) | 2020-06-02 | — | — | US | disclosed |
| US-20180064707-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING POSTTRAUMATIC STRESS DISORDER | POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) | 2018-03-08 | — | — | US | disclosed |
| WO-2009090556-A2 | ARTIFICIAL REPRODUCTION OF PHARMACEUTICAL CONDITIONS OF DEPENDENCY TO TOBACCO AND OTHER ADDICTIVE DRUGS (OPIACEA, PSYCHOSTIMULANTS, ALCOHOL) BY COMBINATION OF NICOTINE AND A LIGAND (AGONIST OR 5 ANTAGONIST) OF 5-HT1A RECEPTORS | TASSIN, THOMAS (FR) | 2009-07-23 | — | — | WO | disclosed |