Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ROS1 | P08922 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL17950746 | 0.73 | CSNK1G1 (0.46) | CYP1A2CSNK1G1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL17950676 | 0.73 | ROS1 (0.53) | CYP1A2CSNK1G1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL7931108 | 0.72 | CSNK1G1 (0.59) | CYP1A2CYP2A6CSNK1G1ALDH1A1MAPT | |
| SCHEMBL7934625 | 0.72 | CSNK1G1 (0.59) | CYP1A2CYP2A6CSNK1G1ALDH1A1MAPT | |
| SCHEMBL11687569 | 0.72 | — | — | |
| SCHEMBL31351353 | 0.72 | CSNK1G1 (0.59) | CYP1A2CYP2A6CSNK1G1ALDH1A1MAPT | |
| SCHEMBL24312507 | 0.69 | HTR5A (0.39) | CYP1A2CYP2A6ALDH1A1MAPTHSD17B10 | |
| SCHEMBL12933671 | 0.69 | ALDH1A1 (0.41) | CYP1A2ALDH1A1MAPTHSD17B10GAA | |
| SCHEMBL12264180 | 0.68 | CSNK1G1 (0.50) | CYP1A2CYP2A6CSNK1G1ALDH1A1MAPT | |
| SCHEMBL22431926 | 0.68 | CHEK1 (0.41) | CYP2A6ALDH1A1SMN1; SMN2TDP1ACHE |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339882-A1 | SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF | BETTA PHARMACEUTICALS CO., LTD. (CN) | 2023-10-26 | — | — | US | disclosed |
| EP-4257196-A1 | DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS | The University of Hong Kong (HK) | 2023-10-11 | — | — | EP | disclosed |
| US-20220213084-A1 | 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | FUNDACIÓN KERTOR (ES) | 2022-07-07 | — | — | US | disclosed |
| WO-2021057696-A1 | HETEROARYL COMPOUND AND APPLICATION THEREOF | 隆泰申医药科技(南京)有限公司 | 2021-04-01 | — | — | WO | disclosed |
| WO-2020210377-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | NUVATION BIO INC. (US) | 2020-10-15 | — | — | WO | disclosed |
| EP-3216787-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-2769722-A1 | Compounds for use in inhibiting HIV capsid assembly | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-27 | — | — | EP | disclosed |
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | 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-20220213084-A1 | 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | HDAC6, HDAC1, HDAC3 | CYP1A2 3432/4885CYP2A6 4144/4885CSNK1G1 279/4885 |
| US-20230339882-A1 | SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF | PTPRF, PTPRCAP, PTPRJ | CYP1A2 4533/4885CYP2A6 3925/4885CSNK1G1 208/4885 |
“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.