Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.40 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | NAT1 | P18440 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30395738 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL14407678 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL8519013 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CA2CA1EPAS1ESPL1 | |
| SCHEMBL17161329 | 0.79 | CA2 (0.47) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL6853269 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL31604493 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL1940828 | 0.76 | LMNA (0.47) | ALDH1A1EPAS1ESPL1CYP2A6LMNA | |
| SCHEMBL16712226 | 0.76 | CA1 (0.49) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL14428559 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL1272213 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CA2CA12CA1CA9 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426119-B1 | Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3- (4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide | NATCO PHARMA LTD (IN) | 2013-10-09 | — | — | EP | claimed |
| US-11981661-B2 | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 2024-05-14 | — | — | US | disclosed |
| EP-4208456-A1 | HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2023-07-12 | — | — | EP | disclosed |
| CN-115989228-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2023-04-18 | — | — | CN | disclosed |
| US-20220098176-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2022-03-31 | — | — | US | disclosed |
| CN-110372550-A | Aryl ether and application thereof | 佩洛通治疗公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-105530923-B | Aryl ethers and their use | 佩洛通治疗公司 | 2019-07-23 | — | — | CN | disclosed |
| EP-2426119-B1 | Intermediates and a process employing the intermediates for the preparation of (3-trifluoromethylsulfonyl)-n-[4-methyl-3- (4-pyridin-3-yl-pyrimidin-2ylamino)-phenyl]-benzamide | NATCO PHARMA LTD (IN) | 2013-10-09 | — | — | EP | disclosed |
| EP-0575494-A4 | — | — | 1994-04-20 | — | — | EP | disclosed |
| EP-0575494-A1 | LEUKOTRIENE ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-12-29 | — | — | EP | disclosed |
| WO-1992016104-A1 | LEUKOTRIENE ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-10-01 | — | — | 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-20220098176-A1 | HETEROCYCLIC COMPOUNDS | CBR3, BRIX1, CCNY | ALDH1A1 1218/4885CA2 3696/4885CA12 3538/4885 |
| US-11981661-B2 | Heterocyclic compounds | CBR3, BRIX1, CCNY | ALDH1A1 1218/4885CA2 3696/4885CA12 3538/4885 |
“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.