Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 10/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4843251 | 0.86 | MTNR1A (0.43) | HTR1AMTNR1AMTNR1BACHECA1 | |
| SCHEMBL4974159 | 0.83 | ACHE (0.38) | HTR1AMTNR1AMTNR1BACHECA1 | |
| SCHEMBL8567081 | 0.77 | SMYD3 (0.56) | HTR1AMTNR1AMTNR1BCYP1A2MAPT | |
| SCHEMBL7433964 | 0.77 | SMYD3 (0.56) | HTR1AMTNR1AMTNR1BCYP1A2MAPT | |
| SCHEMBL926907 | 0.77 | SMYD3 (0.56) | HTR1AMTNR1AMTNR1BCYP1A2MAPT | |
| SCHEMBL30357995 | 0.77 | SMYD3 (0.56) | HTR1AMTNR1AMTNR1BCYP1A2MAPT | |
| SCHEMBL11422593 | 0.76 | DRD2 (0.46) | HTR1ADRD2DRD3DRD4 | |
| SCHEMBL11264083 | 0.76 | NFKB1 (0.42) | CYP1A2MAPTCYP2C9ALOX15 | |
| Hydrochloric Acid SCHEMBL5424922 | 0.75 | SMYD3 (0.54) | HTR1AMTNR1AMTNR1BCYP1A2MAPT | |
| SCHEMBL4833349 | 0.75 | MAPT (0.51) | MTNR1AMTNR1BACHECA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115872820-B | Method for synthesizing chiral 2-functionalized tetrahydroquinoline through biomimetic catalysis and asymmetric hydrogenation | 中国科学院大连化学物理研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115872820-A | Method for synthesizing chiral 2-functional group tetrahydroquinoline by biomimetic catalytic asymmetric hydrogenation | 中国科学院大连化学物理研究所 | 2023-03-31 | — | — | CN | disclosed |