Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11980478 | 0.84 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL23270087 | 0.82 | TSHR (0.39) | ALDH1A1TP53TSHRATMNR1D1 | |
| SCHEMBL28978716 | 0.82 | TSHR (0.39) | ALDH1A1TP53TSHRATMNR1D1 | |
| SCHEMBL13560165 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TP53TSHRATMNR1D1 | |
| SCHEMBL11980472 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TP53TSHRATMNPSR1 | |
| SCHEMBL11980468 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TP53TSHRATML3MBTL1 | |
| SCHEMBL9917294 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TP53TSHRATMNR1D1 | |
| SCHEMBL17780169 | 0.76 | TP53 (0.41) | ALDH1A1TP53TSHRATML3MBTL1 | |
| SCHEMBL15014638 | 0.76 | TP53 (0.43) | ALDH1A1TP53TSHRATMNR1D1 | |
| SCHEMBL10289418 | 0.76 | TP53 (0.43) | ALDH1A1TP53TSHRATMNR1D1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | disclosed |
| EP-3091019-A2 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2016-11-09 | — | — | EP | disclosed |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2016-10-27 | — | — | US | disclosed |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2016-10-27 | — | — | US | disclosed |
| EP-2486039-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER (US) | 2016-06-01 | — | — | EP | disclosed |
| US-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | disclosed |
| US-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | disclosed |
| US-20120208806-A1 | Hsp90 Inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-08-16 | — | — | US | disclosed |
| US-20120208806-A1 | Hsp90 Inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-08-16 | — | — | US | disclosed |
| WO-2011044394-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-04-14 | — | — | WO | 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-20120208806-A1 | Hsp90 Inhibitors | HSP90B1, HSP90AB1, HSP90AB2P | ALDH1A1 2794/4885TP53 85/4885TSHR 3965/4885 |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | XDH, HSP90B1, HSP90AA1 | ALDH1A1 1795/4885TP53 2226/4885TSHR 3525/4885 |
“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.