Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.43 |
| ▸ | TNF | P01375 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.39 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5962677 | 0.95 | CYP4F2 (0.47) | ALDH1A1MEN1KMT2ATBXAS1TNF | |
| SCHEMBL2490236 | 0.91 | KMT2A (0.47) | ALDH1A1MEN1KMT2ATBXAS1TNF | |
| SCHEMBL2486279 | 0.85 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ATBXAS1TNF | |
| SCHEMBL12923193 | 0.84 | TSHR (0.44) | ALDH1A1TBXAS1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL11446314 | 0.83 | LTA4H (0.42) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL11680189 | 0.81 | SMN1; SMN2 (0.46) | ALDH1A1MEN1KMT2ATBXAS1SMN1; SMN2 | |
| SCHEMBL15568312 | 0.80 | TBXAS1 (0.43) | ALDH1A1TBXAS1SMN1; SMN2HPGD | |
| SCHEMBL20224972 | 0.79 | KMT2A (0.47) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1859504 | 0.79 | CYP1A2 (0.57) | ALDH1A1CYP1A2CYP4F2CYP4A11CYP3A4 | |
| Ethyl Propionate SCHEMBL29088282 | 0.78 | CDC7 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E |
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-2098526-B1 | Nitrogen-containing bicyclic compounds active on chronic pain conditions | NEUROTUNE AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8334286-B2 | Substituted pyrrolo[1,2-A] pyrazines, compositions containing these, processes of making these, and uses thereof | NEUROTUNE AG (CH) | 2012-12-18 | — | — | US | disclosed |
| US-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | NEUROTUNE AG (CH) | 2011-01-20 | — | — | US | disclosed |
| EP-2098526-A1 | Nitrogen-containing bicyclic compounds active on chronic pain conditions | Neurotune AG (CH) | 2009-09-09 | — | — | EP | disclosed |
| WO-2009103176-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | NEUROTUNE AG (CH) | 2009-08-27 | — | — | WO | 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 (1 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-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | OPRL1, CNR1, OPRK1 | ALDH1A1 1130/4885MEN1 2101/4885KMT2A 3479/4885 |
“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.