Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10978703 | 0.84 | TAAR1 (0.61) | TAAR1CA2HTR2CHTR2BALDH1A1 | |
| SCHEMBL10608749 | 0.80 | RIPK1 (0.39) | TAAR1CA1CA2CA5ACA9 | |
| SCHEMBL9275642 | 0.79 | ALDH1A1 (0.43) | TAAR1CA1CA2CA5ACA9 | |
| SCHEMBL28812269 | 0.78 | CA1 (0.41) | TAAR1CA1CA2CA5ACA9 | |
| SCHEMBL12317693 | 0.78 | CA2 (0.37) | TAAR1CA1CA2CA5ACA9 | |
| SCHEMBL28811861 | 0.78 | CA1 (0.37) | TAAR1CA1CA2CA5ACA9 | |
| SCHEMBL19222142 | 0.77 | CA1 (0.36) | TAAR1CA1CA2CA5ACA9 | |
| SCHEMBL30634176 | 0.76 | TAAR1 (0.52) | TAAR1CA1CA2CA9HTR2C | |
| SCHEMBL10608288 | 0.76 | TAAR1 (0.52) | TAAR1CA1CA2CA9HTR2C | |
| SCHEMBL9248186 | 0.75 | CA1 (0.35) | CA1CA2CA5ACA9ALDH1A1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115703775-A | KRAS mutant G12C inhibitor and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-103987696-B | Substituted tetrahydro isoquinoline compound as factor XI, plasma thromboplastin antecedent A inhibitor | 百时美施贵宝公司 | 2016-12-21 | — | — | CN | disclosed |
| EP-2766347-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-05-04 | — | — | EP | disclosed |
| US-9079929-B2 | Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140274960-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-09-18 | — | — | US | disclosed |
| CN-103987696-A | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO | 2014-08-13 | — | — | CN | disclosed |
| US-7078567-B2 | Amination process | JOHNSTON JEFFREY N | 2006-07-18 | — | — | US | disclosed |
| US-20040082778-A1 | Amination process | JOHNSTON JEFFREY N (US) | 2004-04-29 | — | — | US | disclosed |
| US-6670479-B2 | An sp2 hybridized radical is reacted with an azomethine group to form pyrrolidine and indole compounds | ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. | 2003-12-30 | — | — | US | disclosed |
| WO-2002072547-A1 | AMINATION PROCESS | ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) | 2002-09-19 | — | — | WO | disclosed |
| WO-2002070439-A2 | AMINATION PROCESS | JOHNSTON, JEFFREY, N. | 2002-09-12 | — | — | WO | disclosed |
| US-20020128490-A1 | Amination process | ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. | 2002-09-12 | — | — | US | disclosed |
| EP-0701554-B1 | NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF | OXIS ISLE OF MAN LTD (GB) | 2001-06-27 | — | — | EP | disclosed |
| US-6093532-A | USING ADAPTED STORAGE MEDIUM WHICH SUPPLIES SELENIUM FOR GLUTATHIONE PEROXIDASE, A CRYOPROTECTIVE AND ANTIOXIDANT ENZYME | OXIS ISLE OF MAN, LIMITED (US) | 2000-07-25 | — | — | US | disclosed |
| US-5968920-A | INCREASE GLUTATHIONE PEROXIDASE ACTIVITY FOR REDUCING LEVELS OF PEROXIDES IN CELLS OR TISSUES | OXIS ISLE OF MAN, LIMITED (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0701554-A1 | NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF | OXIS INTERNATIONAL S.A. (FR) | 1996-03-20 | — | — | EP | disclosed |
| WO-1995027706-A1 | NOVEL COMPOUNDS HAVING A BENZISOSELEN-AZOLINE AND -AZINE STRUCTURE, METHOD FOR PREPARING SAME AND THERAPEUTIC USES THEREOF | OXIS INTERNATIONAL S.A. (FR) | 1995-10-19 | — | — | 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-20040082778-A1 | Amination process | IDO2, INMT, IDO1 | TAAR1 984/4885CA1 982/4885CA2 402/4885 |
| US-20020128490-A1 | Amination process | IDO2, INMT, IDO1 | TAAR1 760/4885CA1 430/4885CA2 299/4885 |
| US-20140274960-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | TFPI, TFPI2, KLKB1 | TAAR1 4721/4885CA1 1852/4885CA2 1899/4885 |
“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.