Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 5/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 4/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20591675 | 1.00 | NOS3 (0.38) | NOS3NOS1NOS2SLC7A5GRIK1 | |
| SCHEMBL21224417 | 0.85 | — | — | |
| SCHEMBL21224419 | 0.85 | — | — | |
| SCHEMBL191235 | 0.81 | NOS3 (0.41) | NOS3NOS1NOS2SLC7A5GRIK1 | |
| SCHEMBL2763848 | 0.81 | BTN3A1 (0.32) | KIF11 | |
| SCHEMBL490891 | 0.81 | NOS3 (0.41) | NOS3NOS1NOS2SLC7A5GRIK1 | |
| SCHEMBL3616995 | 0.81 | BTN3A1 (0.32) | KIF11 | |
| SCHEMBL191236 | 0.81 | NOS3 (0.41) | NOS3NOS1NOS2SLC7A5GRIK1 | |
| SCHEMBL4217873 | 0.81 | NOS1 (0.33) | NOS3NOS1NOS2SLC7A5KMT2A | |
| SCHEMBL10679170 | 0.81 | BTN3A1 (0.32) | KIF11 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11059858-B2 | Difluoroketamide derivatives as HtrA1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2021-07-13 | — | — | US | disclosed |
| EP-3423467-B1 | NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-04-28 | — | — | EP | disclosed |
| EP-3423467-A1 | NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2019-01-09 | — | — | EP | disclosed |
| US-20180371015-A1 | NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2018-12-27 | — | — | US | disclosed |
| US-8217050-B2 | Adenine derivative as inhibitors of HSP90 for the treatment of cancer | CHROMA THERAPEUTICS LIMITED (GB) | 2012-07-10 | — | — | US | disclosed |
| US-20100035901-A1 | ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | CHROMA THERAPEUTICS LTD. | 2010-02-11 | — | — | 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-11059858-B2 | Difluoroketamide derivatives as HtrA1 inhibitors | HTRA1, HTR1A, HTR1E | NOS3 3337/4885NOS1 3396/4885NOS2 4221/4885 |
| US-20100035901-A1 | ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | HSP90AA1, HSP90AB1, HSP90B1 | NOS3 2892/4885NOS1 1774/4885NOS2 2430/4885 |
| US-20180371015-A1 | NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS | HTRA1, HTR1A, HTR1E | NOS3 3085/4885NOS1 3173/4885NOS2 4210/4885 |
“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.