Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3039718 | 0.90 | HRH4 (0.39) | HRH4MEN1KMT2AKDM4ECCNB2 | |
| Trifluoroacetic Acid SCHEMBL3046355 | 0.78 | HDAC6 (0.40) | DRD2DRD4DRD3 | |
| SCHEMBL13136892 | 0.77 | PIK3CA (0.44) | GSK3AALDH1A1ADRB1ADRB3 | |
| SCHEMBL13136904 | 0.77 | MEN1 (0.37) | HRH4MEN1KMT2AKDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL3051485 | 0.77 | DRD2 (0.40) | HRH4PRKCQPRKCDDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL3050415 | 0.76 | HDAC3 (0.41) | HRH4CD274 | |
| Hydrochloric Acid SCHEMBL3046520 | 0.75 | SIGMAR1 (0.43) | DRD2DRD4DRD3CD274 | |
| Hydrochloric Acid SCHEMBL3047168 | 0.75 | PRMT5 (0.39) | KMT2AKDM4ECYP1A2CYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL3054801 | 0.75 | VSIR (0.42) | DRD2DRD4DRD3 | |
| Trifluoroacetic Acid SCHEMBL3047291 | 0.73 | HTR5A (0.41) | HRH4MEN1KMT2AKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | 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 (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-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | HRH4 308/4885MEN1 4829/4885KMT2A 3326/4885 |
“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.