Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL15572800 | 0.83 | KDM1A (0.33) | HTR2ACA1CA2CA5ACA9 | |
| SCHEMBL6516945 | 0.81 | CYP2A6 (0.36) | CYP2A6ESR1ESR2HTR2ACYP1A2 | |
| SCHEMBL30204365 | 0.79 | ESR1 (0.39) | ESR1ESR2MAPK1HPGD | |
| SCHEMBL1877826 | 0.77 | CYP2A6 (0.42) | CYP2A6ESR1ESR2HTR2ACYP1A2 | |
| SCHEMBL9340573 | 0.76 | CYP2A6 (0.32) | CYP2A6HTR2A | |
| SCHEMBL12611448 | 0.75 | TSHR (0.52) | CYP2A6ESR1ESR2ALDH1A1MAPK1 | |
| SCHEMBL17490848 | 0.75 | CHRNA7 (0.41) | ESR1ESR2CA1CA2CA5A | |
| SCHEMBL28477107 | 0.75 | CYP2A6 (0.40) | CYP2A6ESR1ESR2HTR2ACYP1A2 | |
| SCHEMBL7772037 | 0.74 | DPP4 (0.39) | HTR2AALDH1A1DPP4CYP2D6 | |
| SCHEMBL15575588 | 0.73 | CYP2A6 (0.38) | CYP2A6ESR1ESR2HTR2ACYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024008909-A1 | INHIBITORS OF CORONAVIRUS | JANSSEN PHARMACEUTICA NV (BE) | 2024-01-11 | — | — | WO | disclosed |
| CN-1220666-C | Monomer containing electron drawing group and electron donating group and polymer and proton conductive membrane containing same | JSR CORP (JP) | 2005-09-28 | — | — | CN | disclosed |
| CN-1379009-A | Monomer containing electron drawing group and electron donating group and polymer and proton conductive membrane containing same | JSR CORP (JP) | 2002-11-13 | — | — | CN | disclosed |
| US-6271248-B1 | USED IN TREATING HYPERTENSION, PULMONARY HYPERTENSION, RENAL/ GLOMERULAR/MESANGIAL CELL DISORDERS, ENDOTOXEMIA, ISCHEMIA, TUMOR GROWTH, ATHERSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, PROSTATIC HYPERTROPHY, CONGESTIVE HEART FAILURE | BRISTOL-MYERS SQUIBB COMPANY | 2001-08-07 | — | — | US | disclosed |
| US-6080774-A | Substituted biphenylsulfonamide endothelin antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0768305-A1 | N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |