Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.60 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | NQO2 | P16083 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | SPR | P35270 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | HTR1D | P28221 | 2/20 | 0.50 |
| ▸ | HTR1B | P28222 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10552982 | 0.85 | HTR1D (0.69) | MTNR1AMTNR1BCYP1A2NQO2MAPT | |
| SCHEMBL6766265 | 0.84 | MTNR1A (0.82) | HPGDCYP2C19MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL9370964 | 0.82 | SPR (0.64) | HPGDCYP2C19MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL4350200 | 0.81 | HPGD (0.57) | HPGDCYP2C19MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL3246300 | 0.81 | HPGD (0.47) | HPGDCYP2C19MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL6168338 | 0.80 | MTNR1A (0.56) | HPGDMTNR1AMTNR1BCYP1A2NQO2 | |
| SCHEMBL3052924 | 0.79 | HPGD (0.69) | HPGDCYP2C19MTNR1AMTNR1BMAPT | |
| SCHEMBL31036156 | 0.79 | HPGD (0.69) | HPGDCYP2C19MTNR1AMTNR1BMAPT | |
| SCHEMBL10552279 | 0.79 | CSNK2A1 (0.55) | HPGDMTNR1AMTNR1BCYP1A2NQO2 | |
| Benzene SCHEMBL27406056 | 0.78 | MTNR1A (0.68) | HPGDCYP2C19MTNR1AMTNR1BCYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12145923-B2 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2024-11-19 | — | — | US | disclosed |
| CN-111712491-B | Tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application of compounds | 中国科学院上海药物研究所 | 2023-11-17 | — | — | CN | disclosed |
| US-20210040066-A1 | TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2021-02-11 | — | — | US | disclosed |
| EP-3750886-A1 | TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2020-12-16 | — | — | EP | disclosed |
| CN-111712491-A | Tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application thereof | 中国科学院上海药物研究所 | 2020-09-25 | — | — | CN | disclosed |
| WO-2019154395-A1 | TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | 中国科学院上海药物研究所 | 2019-08-15 | — | — | 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-12145923-B2 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | PDE4B, PDE7B, PDE4A | HPGD 471/4885CYP2C19 797/4885MTNR1A 4177/4885 |
| US-20210040066-A1 | TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | PDE4B, PDE7B, PDE4A | HPGD 471/4885CYP2C19 797/4885MTNR1A 4177/4885 |
“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.