Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6888867 | 1.00 | NPC1 (0.43) | NPC1RAB9ADRD2TBXA2RELANE | |
| SCHEMBL7049320 | 0.90 | NPC1 (0.39) | NPC1RAB9ADRD2TBXA2RELANE | |
| SCHEMBL7049316 | 0.90 | NPC1 (0.39) | NPC1RAB9ADRD2TBXA2RELANE | |
| SCHEMBL6888873 | 0.82 | ITGB1 (0.43) | HDAC6OPRM1OPRK1OGFRL1ITGB1 | |
| SCHEMBL6888872 | 0.82 | ITGB1 (0.43) | HDAC6OPRM1OPRK1OGFRL1ITGB1 | |
| SCHEMBL6884435 | 0.81 | NPC1 (0.42) | NPC1RAB9ADRD2TBXA2RELANE | |
| SCHEMBL7718440 | 0.77 | MAPT (0.34) | ELANEPTGS2GAAITGB1ITGA4 | |
| SCHEMBL7718435 | 0.77 | MAPT (0.34) | ELANEPTGS2GAAITGB1ITGA4 | |
| SCHEMBL6887783 | 0.77 | ELANE (0.42) | NPC1RAB9ADRD2TBXA2RELANE | |
| SCHEMBL7716455 | 0.76 | ITGB1 (0.35) | PTGS2ITGB1ITGA4 |
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-6740654-B2 | INHIBIT THE BINDING OF INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS, OR DISORDERS INVOLVING THE INAPPROPRIATE GROWTH OR MIGRATION OF CELLS. | CELLTECH R & D LIMITED (GB) | 2004-05-25 | — | — | US | disclosed |
| US-20020107263-A1 | Squaric acid derivatives | CELLTECH R&D, LTD. (GB) | 2002-08-08 | — | — | 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-20020107263-A1 | Squaric acid derivatives | SUCNR1, ICAM1, VCAM1 | NPC1 1140/4885RAB9A 1901/4885DRD2 3645/4885 |
“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.