Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 2/20 | 0.54 |
| ▸ | HEXB | P07686 | 2/20 | 0.54 |
| ▸ | ATR | Q13535 | 5/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6346755 | 0.85 | HEXA (0.46) | HEXAHEXBATRPRKDCTLR8 | |
| SCHEMBL28174453 | 0.82 | ATR (0.56) | HEXAHEXBATRPRKDCTLR8 | |
| SCHEMBL13575848 | 0.80 | ATR (0.44) | HEXAHEXBATRPRKDCTLR8 | |
| SCHEMBL10304952 | 0.79 | ATR (0.48) | HEXAHEXBATRPRKDCTLR8 | |
| SCHEMBL17204032 | 0.78 | ATR (0.52) | HEXAHEXBATRPRKDCTLR8 | |
| SCHEMBL10305052 | 0.75 | ATR (0.50) | ATRPRKDCIDO1METAP2LCK | |
| SCHEMBL22553122 | 0.74 | ATR (0.49) | ATRPRKDCALOX5APFEN1PIK3CD | |
| SCHEMBL11909154 | 0.73 | ATR (0.72) | ATRPRKDCLDHALDHB | |
| SCHEMBL3461548 | 0.73 | ATR (0.68) | ATRPRKDCLDHALDHB | |
| SCHEMBL22553206 | 0.72 | ATR (0.47) | HEXAHEXBATRPRKDCTLR8 |
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-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-8071766-B2 | HSP90 inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-06 | — | — | 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 | HEXA 3665/4885HEXB 3713/4885ATR 2875/4885 |
| US-20120264770-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | HEXA 3665/4885HEXB 3713/4885ATR 2875/4885 |
| US-20120172321-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | HEXA 3665/4885HEXB 3713/4885ATR 2875/4885 |
“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.