Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | GBA1 | P04062 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | IDH2 | P48735 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16894131 | 0.82 | ALDH1A1 (0.71) | ALDH1A1LMNASMN1; SMN2PKMCA1 | |
| SCHEMBL12362794 | 0.81 | ALDH1A1 (0.54) | CYP2C19ALDH1A1LMNACA1CA2 | |
| SCHEMBL4773915 | 0.81 | CA1 (0.75) | CYP2C19ALDH1A1LMNACA1CA2 | |
| SCHEMBL3686095 | 0.81 | ALDH1A1 (0.61) | ALDH1A1LMNASMN1; SMN2KEAP1KDM4E | |
| SCHEMBL4025712 | 0.81 | CA1 (0.56) | ALDH1A1PKMCA1CA2CA12 | |
| SCHEMBL3013616 | 0.81 | CA1 (0.51) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL19011453 | 0.81 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2CA1CA2CA12 | |
| SCHEMBL1018953 | 0.80 | MEP1B (0.58) | CYP2C19ALDH1A1CA1CA2CA12 | |
| SCHEMBL9577126 | 0.80 | ALDH1A1 (0.68) | CYP2C19ALDH1A1LMNASMN1; SMN2KEAP1 | |
| SCHEMBL9281374 | 0.80 | CYP2C19 (0.67) | CYP2C19ALDH1A1LMNASMN1; SMN2KEAP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3033342-A1 | ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS | Grünenthal GmbH (DE) | 2016-06-22 | — | — | EP | claimed |
| WO-2015022073-A1 | ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS | Grünenthal GmbH (DE) | 2015-02-19 | — | — | WO | claimed |
| EP-4281073-A1 | COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER | Ikena Oncology, Inc. (US) | 2023-11-29 | — | — | EP | disclosed |
| WO-2022159986-A1 | COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER | Ikena Oncology, Inc. (US) | 2022-07-28 | — | — | WO | disclosed |
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| EP-3134396-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Novartis AG (CH) | 2017-03-01 | — | — | EP | disclosed |
| CN-105189508-A | Cycloalkyl nitrile pyrazolo pyridones as JANUS kinase inhibitors | MERCK SHARP & DOHME | 2015-12-23 | — | — | CN | disclosed |
| WO-2015162456-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2015-10-29 | — | — | WO | disclosed |
| WO-2014035872-A1 | TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN | AMGEN INC. (US) | 2014-03-06 | — | — | WO | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |