Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 7/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | BCL2L11 | O43521 | 4/20 | 0.36 |
| ▸ | BCL2 | P10415 | 4/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 4/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL10200499 | 1.00 | XIAP (0.38) | XIAPNOS2BCL2L11BCL2MCL1 | |
| SCHEMBL10201818 | 0.95 | XIAP (0.38) | XIAPNOS2BCL2L11BCL2MCL1 | |
| SCHEMBL10249655 | 0.90 | XIAP (0.41) | XIAPCYP3A4SMN1; SMN2 | |
| SCHEMBL10200507 | 0.88 | MAPT (0.40) | XIAPNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL13139782 | 0.88 | MAPT (0.40) | XIAPNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL10199339 | 0.85 | XIAP (0.41) | XIAPCYP3A4SMN1; SMN2 | |
| SCHEMBL10201832 | 0.83 | MAOB (0.40) | XIAPNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL10200358 | 0.82 | XIAP (0.42) | XIAPCYP3A4 | |
| SCHEMBL10200363 | 0.82 | XIAP (0.42) | XIAPCYP3A4 | |
| SCHEMBL13139742 | 0.81 | XIAP (0.41) | XIAPCYP3A4 |
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-8119631-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |
| US-20110178069-A1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-21 | — | — | 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-20110178069-A1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | IL1A, IFNAR1, IL1B | XIAP 257/4885NOS2 1250/4885BCL2L11 320/4885 |
“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.