Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL846505 | 1.00 | PARP1 (0.39) | PARP1CA1CA2MAOAMAOB | |
| SCHEMBL15902739 | 1.00 | PARP1 (0.39) | PARP1CA1CA2MAOAMAOB | |
| SCHEMBL29355434 | 1.00 | PARP1 (0.39) | PARP1CA1CA2MAOAMAOB | |
| Hydrochloric Acid SCHEMBL9670228 | 0.98 | PARP1 (0.42) | PARP1CA1CA2MAOAMAOB | |
| SCHEMBL11214807 | 0.83 | PARP1 (0.34) | PARP1CA1CA2 | |
| SCHEMBL11214804 | 0.83 | PARP1 (0.34) | PARP1CA1CA2 | |
| SCHEMBL30683793 | 0.77 | PARP1 (0.36) | PARP1CA1CA2 | |
| SCHEMBL135836 | 0.75 | — | — | |
| SCHEMBL8528081 | 0.74 | MEN1 (0.36) | MEN1KMT2A | |
| SCHEMBL1649593 | 0.73 | TRPA1 (0.36) | — |
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-20040077684-A1 | Piperidinyl compounds that selectively bind integrins | JANSSEN PHARMACEUTICA, NV (BE) | 2004-04-22 | — | — | 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-20040077684-A1 | Piperidinyl compounds that selectively bind integrins | ITGB3, ITGAV, ITGA2B | PARP1 1097/4885CA1 4752/4885CA2 4370/4885 |
“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.