Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28827211 | 0.87 | ATM (0.45) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL11526080 | 0.86 | ATM (0.52) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL28616115 | 0.77 | IMPDH2 (0.53) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL28919212 | 0.77 | GPR84 (0.47) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL28780556 | 0.77 | MAPK1 (0.46) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL188194 | 0.73 | ATM (0.54) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL30914580 | 0.73 | MAPK1 (0.47) | GPR84MEN1KMT2AMAPTNFKB1 | |
| SCHEMBL1202543 | 0.72 | IMPDH2 (0.63) | ATMGPR84MEN1CYP3A4KMT2A | |
| Hydrochloric Acid SCHEMBL28905061 | 0.71 | ATM (0.52) | ATMGPR84MEN1CYP3A4KMT2A | |
| SCHEMBL27981638 | 0.71 | GPR84 (0.77) | ATMGPR84MEN1CYP3A4KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115286555-A | Synthetic method of 3-alkynylselendole compound | 温州医科大学 | 2022-11-04 | — | — | CN | disclosed |