Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8046730 | 0.76 | MLNR (0.32) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL8046921 | 0.76 | PIN1 (0.35) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL14046830 | 0.75 | L3MBTL1 (0.38) | HTR1ADRD2DRD3 | |
| SCHEMBL8046925 | 0.73 | AQP1 (0.36) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL20007025 | 0.72 | HTR1A (0.58) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL7992903 | 0.72 | HTR1A (0.58) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL935303 | 0.72 | HTR1A (0.58) | MLNRADRB2ADRB1HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL16340249 | 0.71 | HTR1A (0.57) | MLNRADRB2ADRB1HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL2248981 | 0.71 | HTR1A (0.57) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL7204873 | 0.71 | CYP4F2 (0.34) | SLC6A4SLC6A3KCNH2PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714396-B1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2003-12-10 | — | — | EP | disclosed |
| US-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |
| US-5824682-A | Vasoconstrictive dihydrobenzopyran derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-10-20 | — | — | US | disclosed |
| EP-0714396-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005383-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |