Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30667909 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP2A6ERN1MAPK1SRC | |
| Ethylene Glycol SCHEMBL28448959 | 0.90 | ALDH1A1 (0.39) | ALDH1A1CYP2A6ERN1MAPK1SRC | |
| SCHEMBL3129625 | 0.82 | CYP2A6 (0.52) | ALDH1A1CYP2A6ERN1SRCALDH1A3 | |
| SCHEMBL708554 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2A6ERN1ALDH1A3 | |
| SCHEMBL280640 | 0.82 | CYP2A6 (0.52) | ALDH1A1CYP2A6ERN1MAPK1SRC | |
| SCHEMBL646947 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2A6ERN1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL28065211 | 0.79 | CYP2A6 (0.50) | ALDH1A1CYP2A6ERN1MAPK1SRC | |
| SCHEMBL16955447 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL16961874 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPK1 | |
| SCHEMBL10359242 | 0.76 | TP53 (0.46) | ALDH1A1MAPK1 |
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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024408-A | 1,2, 3-triaryl substituted benzo [ f ] isoindole-4, 9-dione compound and preparation method and application thereof | 湘潭大学 | 2023-11-10 | — | — | CN | claimed |
| CN-108047025-B | Preparation method of 3-aldehyde-5-methylbenzoic acid | 珠海奥博凯生物医药技术有限公司 | 2020-08-04 | — | — | CN | claimed |
| US-20260092076-A1 | NOVEL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2026-04-02 | — | — | US | disclosed |
| EP-4695243-A1 | NLRP3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2026-02-18 | — | — | EP | disclosed |
| EP-4655296-A1 | CBL-B INHIBITORS | Aurigene Oncology Limited (IN) | 2025-12-03 | — | — | EP | disclosed |
| US-20250282785-A1 | PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2025-09-11 | — | — | US | disclosed |
| WO-2025068371-A1 | INHIBITORS OF THE PROPROTEIN CONVERTASE FURIN, METHODS OF PRODUCTION THEREOF AND USE | PHILIPPS-UNIVERSITÄT MARBURG (DE) | 2025-04-03 | — | — | WO | disclosed |
| CN-119546602-A | Pyrrolidone derivatives as inhibitors of nfkb-induced kinase | 詹森药业有限公司 | 2025-02-28 | — | — | CN | disclosed |
| WO-2024213552-A1 | NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2024-10-17 | — | — | WO | disclosed |
| WO-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |
| WO-2024156938-A1 | CBL-B INHIBITORS | ORION CORPORATION (FI) | 2024-08-02 | — | — | WO | disclosed |
| US-20080020981-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-01-24 | — | — | US | disclosed |
| WO-2007141318-A1 | 2,5-DISUBSTITUTED PIPERIDINES | SPEEDEL EXPERIMENTA AG (CH) | 2007-12-13 | — | — | WO | disclosed |
| US-20070078128-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2007-04-05 | — | — | US | disclosed |
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | disclosed |
| US-6028223-A | AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| CN-1201454-A | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 1998-12-09 | — | — | CN | disclosed |
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | 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 (4 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-20070078128-A1 | Non-nucleoside reverse transcriptase inhibitors | SAMHD1, HPRT1, RTF1 | ALDH1A1 584/4885CYP2A6 1318/4885ERN1 490/4885 |
| US-20250282785-A1 | PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE | NFKBIA, IKBKG, IKBKB | ALDH1A1 4167/4885CYP2A6 4555/4885ERN1 314/4885 |
| US-20080020981-A1 | Non-nucleoside reverse transcriptase inhibitors | SAMHD1, HPRT1, NQO2 | ALDH1A1 566/4885CYP2A6 1335/4885ERN1 498/4885 |
| US-20260092076-A1 | NOVEL COMPOUNDS | NOD1, NLRP3, ARRB1 | ALDH1A1 622/4885CYP2A6 752/4885ERN1 1462/4885 |
“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.