Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.56 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | PDE2A | O00408 | 4/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10304938 | 0.87 | NISCH (0.49) | TDO2NISCHPDE2APDE10AABL1 | |
| SCHEMBL15730170 | 0.85 | TDO2 (0.56) | TDO2PDE2APDE10ACCNB2CDK1 | |
| SCHEMBL10305006 | 0.84 | NPC1 (0.44) | TDO2NISCHPDE2APDE10AABL1 | |
| SCHEMBL10304948 | 0.82 | NISCH (0.41) | TDO2NISCHPDE2APDE10AABL1 | |
| SCHEMBL10305040 | 0.82 | NPC1 (0.48) | TDO2NISCHABL1 | |
| SCHEMBL14886183 | 0.81 | NISCH (0.49) | TDO2NISCHPDE2APDE10AABL1 | |
| SCHEMBL3421959 | 0.79 | MKNK1 (0.52) | TDO2PDE2APDE10AABL1CYP3A4 | |
| SCHEMBL31469002 | 0.79 | MKNK1 (0.52) | TDO2PDE2APDE10AABL1CYP3A4 | |
| SCHEMBL30377758 | 0.79 | NISCH (0.52) | TDO2NISCHPDE2APDE10AABL1 | |
| SCHEMBL9139591 | 0.79 | NISCH (0.52) | TDO2NISCHPDE2APDE10AABL1 |
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 | TDO2 4287/4885NISCH 3415/4885PDE2A 1518/4885 |
| US-20120264770-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | TDO2 4287/4885NISCH 3415/4885PDE2A 1518/4885 |
| US-20120172321-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | TDO2 4287/4885NISCH 3415/4885PDE2A 1518/4885 |
“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.