Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1189353 | 0.65 | SLC6A2 (0.30) | — | |
| SCHEMBL2303232 | 0.65 | ALDH1A1 (0.38) | ALDH1A1GAAPARP1 | |
| SCHEMBL2303095 | 0.63 | ALDH1A1 (0.36) | ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL9941093 | 0.60 | ALDH1A1 (0.33) | ALDH1A1GAAPARP1 | |
| SCHEMBL25704408 | 0.59 | APAF1 (0.35) | ALDH1A1GAAPOLB | |
| SCHEMBL6224361 | 0.59 | NPC1 (0.50) | ALDH1A1GAAPARP1POLB | |
| SCHEMBL9904083 | 0.58 | APAF1 (0.34) | ALDH1A1GAAPOLB | |
| SCHEMBL8875694 | 0.57 | ALDH1A1 (0.36) | ALDH1A1GAAPARP1 | |
| SCHEMBL6030491 | 0.56 | CRBN (0.43) | ALDH1A1GAA | |
| SCHEMBL10622381 | 0.55 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036236-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA AS (DK) | 2017-06-07 | — | — | EP | disclosed |
| US-20160207930-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA A/S (DK) | 2016-07-21 | — | — | US | disclosed |
| 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 (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-20160207930-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | TACR2, TACR1, HRH4 | ALDH1A1 2404/4885GAA 3884/4885PARP1 2485/4885 |
| US-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | OPRL1, CNR1, OPRK1 | ALDH1A1 1130/4885GAA 2325/4885PARP1 4481/4885 |
“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.