Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL29733099 | 0.81 | NOS3 (0.30) | — | |
| SCHEMBL9573136 | 0.72 | HTR2C (0.36) | HTR2AHTR2CADRA2ATSHR | |
| SCHEMBL30379751 | 0.72 | HTR2C (0.36) | HTR2AHTR2CADRA2ATSHR | |
| SCHEMBL30336974 | 0.72 | HSD17B10 (0.42) | ALDH1A1HTR2CHTR2BADRA2ATSHR | |
| SCHEMBL30336885 | 0.68 | DRD2 (0.39) | ALDH1A1HTR2C | |
| SCHEMBL29991918 | 0.68 | HTR2A (0.38) | HTR2AHTR2CHTR2BADRA2AAHR | |
| SCHEMBL13791331 | 0.66 | HTR2C (0.33) | HTR2C | |
| SCHEMBL17372829 | 0.64 | PNMT (0.31) | — | |
| SCHEMBL28504175 | 0.62 | CHRNB4 (0.30) | — | |
| SCHEMBL30041983 | 0.60 | TDP1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113292493-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 上海立科化学科技有限公司 | 2021-08-24 | — | — | CN | claimed |
| CN-113292493-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 上海立科化学科技有限公司 | 2021-08-24 | — | — | CN | disclosed |
| CN-113292493-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 上海立科化学科技有限公司 | 2021-08-24 | — | — | CN | disclosed |