Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28467771 | 1.00 | ESR1 (0.48) | ESR1ESR2KDM1AKDM4ESLC6A4 | |
| SCHEMBL18755234 | 0.80 | ESR1 (0.47) | ESR1ESR2HTR2CHTR2BDRD2 | |
| SCHEMBL28900574 | 0.80 | ESR1 (0.47) | ESR1ESR2HTR2CHTR2BDRD2 | |
| SCHEMBL13306192 | 0.80 | ESR1 (0.51) | ESR1ESR2KDM4EMTNR1ASMYD3 | |
| SCHEMBL30124970 | 0.80 | ESR1 (0.51) | ESR1ESR2KDM4EMTNR1ASMYD3 | |
| SCHEMBL13784817 | 0.80 | ESR1 (0.51) | ESR1ESR2KDM4EMTNR1ASMYD3 | |
| SCHEMBL5051433 | 0.80 | ESR1 (0.51) | ESR1ESR2KDM4EMTNR1ASMYD3 | |
| SCHEMBL29746401 | 0.80 | KDM4E (0.50) | ESR1ESR2KDM4ECYP2D6 | |
| SCHEMBL26613338 | 0.80 | KDM4E (0.50) | ESR1ESR2KDM4ECYP2D6 | |
| SCHEMBL20846896 | 0.79 | ESR1 (0.49) | ESR1ESR2KDM4EMTNR1ASMYD3 |
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-111793023-B | One-pot biomimetic synthesis of chiral tetrahydroquinoline compound | 中国科学院大连化学物理研究所 | 2021-08-31 | — | — | CN | disclosed |
| CN-111793023-A | One-pot biomimetic synthesis of chiral tetrahydroquinoline compound | 中国科学院大连化学物理研究所 | 2020-10-20 | — | — | CN | disclosed |