Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | BRAF | P15056 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.48 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.48 |
| ▸ | TEK | Q02763 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13354070 | 0.89 | KDR (0.48) | NPC1RAB9AHSP90AA1BRAFKDR | |
| SCHEMBL2453176 | 0.79 | BRAF (0.55) | NPC1RAB9AHSP90AA1BRAFKDR | |
| SCHEMBL2455490 | 0.79 | KDR (0.51) | NPC1RAB9AHSP90AA1BRAFKDR | |
| SCHEMBL2454836 | 0.76 | BRAF (0.61) | BRAFKDRIKBKBRAF1ERBB2 | |
| SCHEMBL2453229 | 0.74 | KDR (0.51) | NPC1RAB9AHSP90AA1BRAFKDR | |
| SCHEMBL12334319 | 0.74 | DYRK1A (0.54) | BRAFKDRIKBKBRAF1ERBB2 | |
| SCHEMBL2857403 | 0.74 | BRAF (0.51) | RAB9ABRAFKDRIKBKBRAF1 | |
| SCHEMBL2450325 | 0.74 | KDR (0.49) | NPC1RAB9ABRAFKDRIKBKB | |
| SCHEMBL2455652 | 0.73 | KDR (0.58) | BRAFKDRIKBKBRAF1ERBB2 | |
| SCHEMBL2458469 | 0.73 | KDR (0.57) | BRAFKDRIKBKBRAF1ERBB2 |
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 5 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-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 |
| US-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | 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-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.