Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7135254 | 0.84 | SIGMAR1 (0.45) | HRH3SIGMAR1SMPD1KCNJ1KCNH2 | |
| SCHEMBL8207786 | 0.81 | HRH1 (0.42) | HRH1HTR1A | |
| SCHEMBL9284701 | 0.81 | SIGMAR1 (0.42) | HRH3SIGMAR1HRH1SMPD1ABCB1 | |
| Oxalic Acid SCHEMBL9280234 | 0.75 | SIGMAR1 (0.40) | HRH3SIGMAR1SMPD1KCNJ1KCNH2 | |
| Water SCHEMBL8200822 | 0.74 | HRH1 (0.44) | HRH1KCNH2ABCB1 | |
| SCHEMBL8208339 | 0.72 | HRH3 (0.44) | HRH3SIGMAR1SMPD1KCNH2HTR1A | |
| SCHEMBL7136431 | 0.69 | DRD1 (0.46) | SIGMAR1HRH1 | |
| SCHEMBL7139726 | 0.68 | HRH1 (0.38) | SIGMAR1HRH1KCNH2ABCB1ADRA1D | |
| SCHEMBL9234670 | 0.67 | SIGMAR1 (0.41) | HRH3SIGMAR1HRH1KCNJ1KCNH2 | |
| SCHEMBL6991699 | 0.66 | HRH1 (0.68) | HRH1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0675889-B1 | ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2000-07-05 | — | — | EP | disclosed |
| US-5595988-A | Triazolo(pyrrolo, thieno or furano)azepine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-01-21 | — | — | US | disclosed |