Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 14/20 | 0.43 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL12876235 | 0.92 | RARA (0.41) | KLKB1WDR5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1197847 | 0.90 | MMP13 (0.41) | KLKB1WDR5TLR7 | |
| SCHEMBL1199364 | 0.82 | PPARG (0.39) | KLKB1TLR7 | |
| SCHEMBL12876052 | 0.82 | DHODH (0.42) | KLKB1 | |
| SCHEMBL12876055 | 0.78 | DHODH (0.40) | KLKB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12876109 | 0.78 | L3MBTL1 (0.39) | KLKB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12875936 | 0.77 | RARA (0.43) | KLKB1 | |
| SCHEMBL1198936 | 0.76 | L3MBTL1 (0.39) | KLKB1RAB9ASMN1; SMN2 | |
| SCHEMBL12876102 | 0.76 | L3MBTL1 (0.39) | KLKB1 | |
| SCHEMBL2854619 | 0.72 | CTSS (0.39) | KLKB1SMN1; SMN2ADORA2AADORA1 |
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-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | 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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | KLKB1 3765/4885WDR5 4158/4885NPC1 3877/4885 |
“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.