Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.59 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL28123362 | 0.81 | IDO1 (0.46) | TAAR1HTR2AIDO1CYP2A6SMN1; SMN2 | |
| SCHEMBL28924 | 0.77 | IDO1 (0.55) | TAAR1IDO1GPR52SMN1; SMN2FFAR1 | |
| Hydrazine SCHEMBL27604749 | 0.77 | IDO1 (0.50) | IDO1SMN1; SMN2AGXTMAPTALDH1A1 | |
| SCHEMBL901056 | 0.77 | TSHR (0.52) | IDO1AGXTALDH1A1 | |
| SCHEMBL265615 | 0.77 | TAAR1 (1.00) | TAAR1HTR2AIDO1GPR52CYP2A6 | |
| Benzene SCHEMBL25178056 | 0.77 | TSHR (0.52) | IDO1AGXTALDH1A1 | |
| SCHEMBL503 | 0.77 | TSHR (0.52) | IDO1AGXTALDH1A1 | |
| SCHEMBL29423333 | 0.77 | TAAR1 (1.00) | TAAR1HTR2AIDO1GPR52CYP2A6 | |
| Monoethanolamine SCHEMBL27702227 | 0.76 | IDO1 (0.42) | TAAR1HTR2AIDO1CYP2A6SMN1; SMN2 | |
| SCHEMBL27606449 | 0.75 | MAOA (0.40) | TAAR1HTR2AIDO1CYP2A6SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112724084-B | Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid | 上海彩迩文生化科技有限公司 | 2022-04-22 | — | — | CN | claimed |
| CN-112724084-A | Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid | 南京艾普特生物医药有限公司 | 2021-04-30 | — | — | CN | claimed |
| CN-112724084-B | Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid | 上海彩迩文生化科技有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-112724084-A | Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid | 南京艾普特生物医药有限公司 | 2021-04-30 | — | — | CN | disclosed |