Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10305109 | 0.87 | CYP1A1 (0.50) | CYP1A1CYP1B1L3MBTL1CYP19A1MEN1 | |
| SCHEMBL15624619 | 0.85 | CYP1A1 (0.44) | CYP1A1CYP1B1L3MBTL1CYP19A1MEN1 | |
| SCHEMBL10305054 | 0.79 | ATP4A (0.48) | CYP19A1NPC1GAAMAPTSMN1; SMN2 | |
| SCHEMBL10304965 | 0.74 | BTK (0.43) | MEN1KMT2ANPC1GAAMAPT | |
| SCHEMBL10304993 | 0.74 | MEN1 (0.51) | CYP1A1CYP1B1CYP19A1MEN1KMT2A | |
| SCHEMBL10305107 | 0.73 | CYP11B1 (0.45) | NPC1GAARAB9AHTTKDM4E | |
| SCHEMBL10304933 | 0.72 | MAPT (0.43) | MEN1KMT2ANPC1GAAMAPT | |
| SCHEMBL10304990 | 0.71 | HSP90AA1 (0.47) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL10305106 | 0.71 | MAPT (0.40) | MEN1KMT2AMAPTSMN1; SMN2ATM | |
| SCHEMBL10305015 | 0.69 | PDE2A (0.42) | MEN1KMT2ANPC1GAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120264770-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-18 | — | — | US | disclosed |
| US-20120172321-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-05 | — | — | US | disclosed |
| US-20090305998-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | 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 (3 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-20090305998-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | CYP1A1 2326/4885CYP1B1 1917/4885L3MBTL1 4161/4885 |
| US-20120264770-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | CYP1A1 2326/4885CYP1B1 1917/4885L3MBTL1 4161/4885 |
| US-20120172321-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | CYP1A1 2326/4885CYP1B1 1917/4885L3MBTL1 4161/4885 |
“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.