Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.43 |
| ▸ | QPCT | Q16769 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MAP4K3 | Q8IVH8 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2403445 | 0.84 | SLC6A2 (0.47) | MLYCDQPCTMAP4K3SLC6A2SLC6A4 | |
| SCHEMBL29786817 | 0.84 | KDR (0.46) | LOXL2TRPV1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20924388 | 0.82 | HSD17B1 (0.60) | HSD17B1HSD17B2FYNCYP3A4CYP2C9 | |
| SCHEMBL30866470 | 0.82 | MAP4K4 (0.45) | MLYCDHSD17B1HSD17B2QPCTLOXL2 | |
| SCHEMBL20500609 | 0.82 | MAP4K4 (0.45) | MLYCDHSD17B1HSD17B2QPCTLOXL2 | |
| SCHEMBL2404693 | 0.82 | SLC6A2 (0.51) | HSD17B1HSD17B2QPCTLOXL2MAP4K3 | |
| SCHEMBL26255820 | 0.78 | KDR (0.44) | LOXL2MAP4K3TRPV1SLC6A2SLC6A4 | |
| SCHEMBL4677035 | 0.75 | KDR (0.41) | MLYCDLOXL2TRPV1SLC6A2SLC6A4 | |
| SCHEMBL17151793 | 0.75 | MAP4K3 (0.48) | MAP4K3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9955397 | 0.74 | HSD17B1 (0.47) | HSD17B1HSD17B2LOXL2KDM4ECYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288435-B2 | 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-16 | — | — | US | disclosed |
| US-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-09-01 | — | — | US | disclosed |
| US-20110124636-A1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110124636-A1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CNR1 | MLYCD 4226/4885HSD17B1 882/4885HSD17B2 782/4885 |
| US-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | HCRTR2, HCRTR1, HRH3 | MLYCD 3700/4885HSD17B1 3718/4885HSD17B2 3183/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.