Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.48 |
| ▸ | PRKDC | P78527 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HEXA | P06865 | 1/20 | 0.41 |
| ▸ | HEXB | P07686 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 2/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10305052 | 0.85 | ATR (0.50) | ATRPRKDCPIK3CACD274PDCD1 | |
| SCHEMBL13575901 | 0.83 | ATR (0.44) | ATRPRKDCHEXAHEXBPIK3CA | |
| SCHEMBL10304959 | 0.81 | ABL1 (0.45) | PIK3CAGRM5 | |
| SCHEMBL10305106 | 0.80 | MAPT (0.40) | PIK3CATLR8SMN1; SMN2CSF1RALDH1A1 | |
| SCHEMBL28174453 | 0.79 | ATR (0.56) | ATRPRKDCHEXAHEXBTLR8 | |
| SCHEMBL10305022 | 0.79 | HEXA (0.54) | ATRPRKDCHEXAHEXBTLR8 | |
| SCHEMBL3769692 | 0.79 | NOS1 (0.44) | ATRPRKDCHEXAHEXBNPC1 | |
| SCHEMBL10304977 | 0.76 | CSF1R (0.39) | GAAPIK3CACSF1RALDH1A1HSD17B10 | |
| SCHEMBL17204032 | 0.75 | ATR (0.52) | ATRPRKDCHEXAHEXBTLR8 | |
| SCHEMBL10304956 | 0.73 | SQOR (0.46) | ATRPRKDCGAAL3MBTL1NPC1 |
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 2 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 |
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-20120264770-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | ATR 2875/4885PRKDC 894/4885GAA 221/4885 |
| US-20120172321-A1 | HSP90 INHIBITORS | HSP90AB1, HSP90AA1, HSP90B1 | ATR 2875/4885PRKDC 894/4885GAA 221/4885 |
“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.