Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 15/20 | 0.50 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30736 | 0.83 | ATR (0.49) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL6893430 | 0.81 | NPC1 (0.44) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL585053 | 0.79 | ADORA2A (0.45) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL10234729 | 0.79 | NPC1 (0.42) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL584149 | 0.78 | NPC1 (0.43) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL6894323 | 0.78 | NPC1 (0.41) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL584148 | 0.77 | AKR1C3 (0.43) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL30013596 | 0.77 | NPC1 (0.42) | PIK3CAPIK3R1MTORNPC1RAB9A | |
| SCHEMBL584529 | 0.77 | HSP90AA1 (0.45) | PIK3CAMTORNPC1RAB9AKDM4E | |
| SCHEMBL10327965 | 0.75 | PIK3CA (0.74) | PIK3CAPIK3R1MTOR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | 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-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | BACE1, BACE2, PSEN1 | PIK3CA 2681/4885PIK3R1 2651/4885MTOR 1824/4885 |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | PIK3CA 34/4885PIK3R1 333/4885MTOR 1/4885 |
“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.