Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 5/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SETDB1 | Q15047 | 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 | |
|---|---|---|---|---|
| SCHEMBL8028511 | 0.87 | HRH2 (0.42) | AR | |
| SCHEMBL3997043 | 0.85 | MMP3 (0.46) | CYP2A6ALDH1A1AR | |
| SCHEMBL12226952 | 0.85 | FFAR1 (0.40) | CYP2A6ALDH1A1KDM5AKDM4CKDM5B | |
| SCHEMBL8436238 | 0.84 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4CA12 | |
| SCHEMBL2154771 | 0.83 | CYP2A6 (0.44) | CYP2A6ALDH1A1KDM5AKDM4CKDM5B | |
| SCHEMBL2153680 | 0.83 | CYP2A6 (0.44) | CYP2A6ALDH1A1KDM5AKDM4CKDM5B | |
| SCHEMBL12763619 | 0.82 | CYP2A6 (0.48) | CYP2A6ALDH1A1KDM5AKDM4CKDM5B | |
| SCHEMBL5446462 | 0.81 | XDH (0.46) | ALDH1A1AR | |
| SCHEMBL13608787 | 0.81 | CA2 (0.41) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL3715551 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1KDM5AKDM4CKDM5B |
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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240150346-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | INNOVSTONE THERAPEUTICS LIMITED (CN) | 2024-05-09 | — | — | US | disclosed |
| CN-117466882-A | Compounds as modulators of the S1P receptor and uses thereof | 华东师范大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| WO-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |
| WO-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |
| EP-3763367-A1 | PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS | Celgene Quanticel Research, Inc. (US) | 2021-01-13 | — | — | EP | disclosed |
| EP-3763367-A1 | PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS | Celgene Quanticel Research, Inc. (US) | 2021-01-13 | — | — | EP | disclosed |
| EP-2928471-B1 | HISTONE DEMETHYLASE INHIBITORS | CELGENE QUANTICEL RES INC (US) | 2020-10-14 | — | — | EP | disclosed |
| EP-2928471-B1 | HISTONE DEMETHYLASE INHIBITORS | CELGENE QUANTICEL RES INC (US) | 2020-10-14 | — | — | EP | disclosed |
| US-20120022109-A1 | OXADIAZOLE DERIVATIVES | MERCK SERONO SA (CH) | 2012-01-26 | — | — | US | disclosed |
| WO-2010115751-A2 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010112461-A1 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-07 | — | — | WO | disclosed |
| CN-100379722-C | Compounds | ASTRA ZENECA LTD (SE) | 2008-04-09 | — | — | CN | disclosed |
| EP-1036061-B1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2003-09-24 | — | — | EP | disclosed |
| US-6337394-B2 | N-ACYL-HETEROCYCLE-CARBOXYAMIDES THAT ARE N-SUBSTITUTED WITH AMIDINO-SUBSTITUTED RINGS; COMPETITIVE INHIBITORS OF THROMBIN; ANTICOAGULANTS | ASTRAZENECA AB (SE) | 2002-01-08 | — | — | US | disclosed |
| US-20010046981-A1 | COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 2001-11-29 | — | — | US | disclosed |
| CN-1284063-A | Compounds | ASTRA ZENECA LTD (SE) | 2001-02-14 | — | — | CN | disclosed |
| EP-1036061-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999029664-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-06-17 | — | — | 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 (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-20240150346-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | TLR7, TLR1, TLR8 | CYP2A6 621/4885ALDH1A1 1289/4885KDM5A 3781/4885 |
| US-20010046981-A1 | COMPOUNDS | F2, SERPINC1, SERPINB1 | CYP2A6 1226/4885ALDH1A1 2984/4885KDM5A 4076/4885 |
| US-20120022109-A1 | OXADIAZOLE DERIVATIVES | OXA1L, HLA-DRB1, SSB | CYP2A6 2143/4885ALDH1A1 510/4885KDM5A 1378/4885 |
“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.