Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.59 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.50 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.50 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.50 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21326157 | 0.85 | HTR7 (0.60) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| SCHEMBL18669403 | 0.80 | HTR7 (0.58) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| SCHEMBL10814283 | 0.79 | HTR7 (0.53) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| Tetrahydroharman SCHEMBL7018798 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| Tetrahydroharman SCHEMBL21012020 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| SCHEMBL12212162 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| Tetrahydroharman SCHEMBL29630296 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| SCHEMBL968830 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| SCHEMBL17839824 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 | |
| Tetrahydroharman SCHEMBL29630308 | 0.76 | HTR7 (0.65) | HTR7CYP3A4CYP2D6CYP2C19MAPKAPK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109134605-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSK, and synthesis, activity and application thereof | 首都医科大学 | 2022-04-22 | — | — | CN | claimed |
| CN-109134604-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GRGDF, and synthesis, activity and application thereof | 首都医科大学 | 2022-04-22 | — | — | CN | claimed |
| CN-109111502-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GGPRP, and synthesis, activity and application thereof | 首都医科大学 | 2022-04-22 | — | — | CN | claimed |
| CN-109134603-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GYIGSR, and synthesis, activity and application thereof | 首都医科大学 | 2022-04-22 | — | — | CN | claimed |
| CN-109134607-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GRGDS, synthesis, activity and application thereof | 首都医科大学 | 2022-02-08 | — | — | CN | claimed |
| CN-109134606-B | 1, 1-dihydroxymethyl-tetrahydro-beta-carboline-3-formyl-GRGDV, synthesis, activity and application thereof | 首都医科大学 | 2022-02-08 | — | — | CN | claimed |