Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PTGIR | P43119 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL12651251 | 0.94 | ALDH1A1 (0.49) | ALDH1A1BRAFFYNKDM4ETDP1 | |
| Trifluoroacetic Acid SCHEMBL1790344 | 0.91 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL3338284 | 0.88 | DPP4 (0.46) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| SCHEMBL3340378 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1MAPTNPC1 | |
| SCHEMBL12651466 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL3343094 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL3340913 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1KMT2AMEN1 | |
| SCHEMBL12651149 | 0.79 | KDM1A (0.45) | ALDH1A1KDM4ERARBRARG | |
| SCHEMBL1789424 | 0.78 | ALDH1A1 (0.50) | ALDH1A1FYNKDM4ETDP1RARB | |
| Trifluoroacetic Acid SCHEMBL3042666 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4ETDP1KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | GLAXOSMITHKLINE LLC | 2014-10-30 | — | — | US | disclosed |
| US-20100113512-A1 | METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | IGNAR DIANE MICHELE | 2010-05-06 | — | — | 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-20100113512-A1 | METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | OPRL1, OPRD1, OPRK1 | ALDH1A1 4254/4885BRAF 4602/4885FYN 4593/4885 |
| US-20140323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | OPRL1, OPRM1, OPRK1 | ALDH1A1 3500/4885BRAF 4575/4885FYN 2651/4885 |
“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.