Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 3/20 | 0.35 |
| ▸ | CCR8 | P51685 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL20041730 | 0.78 | NPC1 (0.37) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL13763321 | 0.76 | HSP90AA1 (0.48) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL19699885 | 0.73 | LIMK1 (0.49) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL718727 | 0.72 | CYP2A6 (0.44) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL157274 | 0.71 | TUBB4A (0.48) | NPC1CYP2A6KDM4EMEN1KMT2A | |
| SCHEMBL10033652 | 0.70 | HSP90AA1 (0.42) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL5776212 | 0.70 | LIMK1 (0.69) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL10054253 | 0.70 | LIMK1 (0.57) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 | |
| SCHEMBL1811307 | 0.68 | LIMK1 (0.50) | NPC1L3MBTL1LIMK1KDM4EMEN1 | |
| SCHEMBL19732034 | 0.68 | LIMK1 (0.37) | HSP90AA1NPC1L3MBTL1LIMK1CLK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-25 | — | — | US | disclosed |
| US-20120053173-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-2251326-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-11-17 | — | — | 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 (2 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-20120053173-A1 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | HSP90AA1 2403/4885NPC1 902/4885L3MBTL1 4088/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | HSP90AA1 2403/4885NPC1 902/4885L3MBTL1 4088/4885 |
“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.