Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6032813 | 0.81 | NR4A2 (0.49) | ALDH1A1NR4A2ADORA2ACASP6MEN1 | |
| SCHEMBL6033578 | 0.76 | ALDH1A1 (0.44) | ALDH1A1NR4A2ADORA2AMEN1KMT2A | |
| SCHEMBL4647035 | 0.76 | KDM4E (0.59) | ALDH1A1ADORA2AMEN1KMT2AHTT | |
| SCHEMBL28965461 | 0.76 | KDM4E (0.54) | ALDH1A1NR4A2ADORA2ACASP6MEN1 | |
| SCHEMBL6033768 | 0.75 | ALDH1A1 (0.49) | ALDH1A1NR4A2CASP6MEN1KMT2A | |
| SCHEMBL6033091 | 0.73 | ALDH1A1 (0.50) | ALDH1A1NR4A2ADORA2ACASP6MEN1 | |
| SCHEMBL5811909 | 0.73 | TRPV1 (0.61) | — | |
| SCHEMBL6005419 | 0.72 | NPC1 (0.59) | ALDH1A1NR4A2MEN1KMT2AHTT | |
| SCHEMBL12075052 | 0.72 | NPC1 (0.59) | ALDH1A1NR4A2MEN1KMT2AHTT | |
| SCHEMBL6034071 | 0.72 | ALDH1A1 (0.49) | ALDH1A1NR4A2ADORA2AMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101035780-A | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | MERCK SHARP & DOHME (GB) | 2007-09-12 | — | — | CN | disclosed |
| EP-1685124-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-08-02 | — | — | EP | disclosed |
| US-20050197342-A1 | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | HOLLINGWORTH GREGORY J (GB) | 2005-09-08 | — | — | US | disclosed |
| WO-2005047279-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | 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-20050197342-A1 | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | OPRL1, OPRK1, CNR1 | ALDH1A1 2879/4885NR4A2 228/4885ADORA2A 540/4885 |
“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.