Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.47 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5067781 | 0.90 | AKR1C3 (0.46) | NR1H4PDK2AKR1C3AKR1C2FFAR1 | |
| SCHEMBL3636122 | 0.90 | NR1H4 (0.56) | NR1H4PDK2FFAR1BAZ2BBAZ2A | |
| Trifluoroacetic Acid SCHEMBL30687977 | 0.84 | DHODH (0.58) | PDK2PARP1PRSS1DHODHDPP4 | |
| Trifluoroacetic Acid SCHEMBL7759604 | 0.84 | DHODH (0.58) | PDK2PARP1PRSS1DHODHDPP4 | |
| SCHEMBL3135455 | 0.79 | PARP1 (0.53) | NR1H4BAZ2BBAZ2APARP1BRD4 | |
| SCHEMBL2995452 | 0.79 | NR1H4 (0.74) | NR1H4AKR1C3AKR1C2FFAR1NPC1 | |
| SCHEMBL5307077 | 0.78 | PARP1 (0.56) | PDK2BAZ2BBAZ2APARP1NPC1 | |
| Trifluoroacetic Acid SCHEMBL10277408 | 0.78 | PARP1 (0.59) | PARP1DHODH | |
| Trifluoroacetic Acid SCHEMBL29713373 | 0.78 | PARP1 (0.59) | PARP1DHODH | |
| Hydrochloric Acid SCHEMBL29287827 | 0.78 | PARP1 (0.51) | NR1H4BAZ2BBAZ2APARP1BRD4 |
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-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2011-05-26 | — | — | 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-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | NR1H4 228/4885PDK2 4021/4885AKR1C3 2428/4885 |
“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.