Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | BRAF | P15056 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | FLT1 | P17948 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2853876 | 0.92 | NPC1 (0.51) | NPC1RAB9AHSP90AA1ALDH1A1BRAF | |
| SCHEMBL23797948 | 0.90 | NPC1 (0.61) | NPC1RAB9AHSP90AA1ALDH1A1BRAF | |
| SCHEMBL2857653 | 0.87 | BRAF (0.51) | NPC1RAB9AHSP90AA1ALDH1A1BRAF | |
| SCHEMBL2859325 | 0.86 | KDR (0.53) | NPC1RAB9AHSP90AA1ALDH1A1BRAF | |
| SCHEMBL3512224 | 0.82 | BRAF (0.51) | NPC1RAB9AHSP90AA1ALDH1A1BRAF | |
| SCHEMBL2861512 | 0.82 | KDR (0.52) | BRAFKDRPDGFRBKITFLT1 | |
| SCHEMBL23797943 | 0.82 | KDR (0.55) | NPC1RAB9AHSP90AA1ALDH1A1BRAF | |
| SCHEMBL2849366 | 0.81 | MAPT (0.46) | NPC1RAB9AMAPTKDM4EPIK3CA | |
| SCHEMBL2853863 | 0.79 | KDR (0.52) | NPC1RAB9AALDH1A1BRAFMAPT | |
| SCHEMBL2860036 | 0.79 | BRAF (0.51) | BRAFKDRPDGFRBKITFLT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2184285-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-11-04 | — | — | EP | disclosed |
| US-8344135-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-01 | — | — | US | disclosed |
| US-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | US | disclosed |
| EP-2184285-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-05-12 | — | — | EP | 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-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | BRAF, NRAS, RAF1 | NPC1 3266/4885RAB9A 383/4885HSP90AA1 1439/4885 |
“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.