Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.47 |
| ▸ | FEN1 | P39748 | 2/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10304956 | 0.85 | SQOR (0.46) | ATRPRKDCPDCD1CD274SQOR | |
| SCHEMBL10304952 | 0.85 | ATR (0.48) | ATRPRKDCALOX5APFEN1PDCD1 | |
| SCHEMBL10304958 | 0.84 | PDCD1 (0.43) | ATRPRKDCPDCD1CD274SQOR | |
| SCHEMBL10304999 | 0.82 | ALOX5AP (0.40) | ALOX5APFEN1PDCD1CD274ALK | |
| SCHEMBL28174453 | 0.82 | ATR (0.56) | ATRPRKDCALOX5APFEN1IDO1 | |
| SCHEMBL10305279 | 0.81 | ALOX5AP (0.40) | ALOX5APFEN1PDCD1CD274ALK | |
| SCHEMBL13575901 | 0.80 | ATR (0.44) | ATRPRKDCALOX5APFEN1PDCD1 | |
| SCHEMBL10305053 | 0.80 | HSP90AA1 (0.52) | ALOX5APFEN1ALKSQORHSP90AA1 | |
| SCHEMBL10305018 | 0.79 | CYP1A2 (0.47) | ATRPRKDCPDCD1CD274SQOR | |
| SCHEMBL10305020 | 0.79 | CYP1A2 (0.47) | ATRPRKDCPDCD1CD274SQOR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | disclosed |
| 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-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 |
| 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 | ATR 2875/4885PRKDC 894/4885ALOX5AP 3695/4885 |
| US-20120264770-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | ATR 2875/4885PRKDC 894/4885ALOX5AP 3695/4885 |
| US-20120172321-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | ATR 2875/4885PRKDC 894/4885ALOX5AP 3695/4885 |
“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.