Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL10304992 | 0.87 | CYP1A1 (0.45) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL10304993 | 0.86 | MEN1 (0.51) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL10304990 | 0.83 | HSP90AA1 (0.47) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL10305003 | 0.79 | ATP4A (0.51) | MEN1KMT2ANPC1CYP19A1MAPT | |
| SCHEMBL10305108 | 0.78 | CYP1A1 (0.42) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL10305110 | 0.74 | HSP90AB1 (0.45) | CYP1A1CYP1B1NPC1MAPTRAB9A | |
| SCHEMBL15178722 | 0.74 | RAB9A (0.45) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL10305055 | 0.73 | ALDH1A1 (0.43) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL19626481 | 0.72 | KMT2A (0.61) | CYP1A1CYP1B1MEN1KMT2ANPC1 | |
| SCHEMBL15624619 | 0.72 | CYP1A1 (0.44) | CYP1A1CYP1B1MEN1KMT2ANPC1 |
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 1917/4885MEN1 4621/4885 |
| US-20120264770-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | CYP1A1 2326/4885CYP1B1 1917/4885MEN1 4621/4885 |
| US-20120172321-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | CYP1A1 2326/4885CYP1B1 1917/4885MEN1 4621/4885 |
“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.