Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830511 | 1.00 | HTR2A (0.34) | HTR2AALOX5CYP1A2PYCR1CYP2A6 | |
| SCHEMBL17532645 | 0.85 | NR1I2 (0.41) | HTR2AALOX5CYP1A2PYCR1 | |
| SCHEMBL15786506 | 0.85 | HTR2A (0.44) | HTR2AALOX5CYP1A2MEN1KMT2A | |
| SCHEMBL11856343 | 0.85 | NR1I2 (0.37) | ALOX5CYP1A2PYCR1KMT2A | |
| SCHEMBL19262248 | 0.85 | KMT2A (0.33) | HTR2AALOX5CYP1A2PYCR1CNR1 | |
| SCHEMBL537267 | 0.83 | CYP2A6 (0.42) | HTR2AALOX5CYP1A2CYP2A6CNR1 | |
| SCHEMBL28830504 | 0.80 | GABBR2 (0.41) | CYP1A2MEN1KMT2A | |
| SCHEMBL28830454 | 0.80 | CHRNA7 (0.39) | ALOX5CNR1 | |
| SCHEMBL28830550 | 0.80 | GABBR2 (0.40) | — | |
| SCHEMBL28830505 | 0.80 | GABBR2 (0.41) | CYP1A2MEN1KMT2A |
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-114957304-B | Chiral 1, 5-diborane compound and synthetic method and application thereof | 浙江大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |