Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21032335 | 0.83 | CYP1A2 (0.41) | TAAR1CYP1A2CYP2D6CYP2C19HPGD | |
| SCHEMBL16958419 | 0.81 | L3MBTL1 (0.38) | TAAR1CYP1A2CYP2D6CYP2C19HPGD | |
| SCHEMBL4547157 | 0.80 | MAPT (0.41) | CYP1A2CYP2D6CYP2C19HPGDMAPT | |
| SCHEMBL5981997 | 0.79 | TAAR1 (0.59) | TAAR1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL17429675 | 0.79 | SMN1; SMN2 (0.37) | TAAR1CYP1A2CYP2D6CYP2C19HPGD | |
| SCHEMBL18378343 | 0.78 | HSP90AA1 (0.43) | TAAR1HPGDMAPTALDH1A1KMT2A | |
| SCHEMBL8036416 | 0.78 | TAAR1 (0.42) | TAAR1MAPTALDH1A1KMT2AGAA | |
| SCHEMBL10817318 | 0.78 | AMY1A (0.42) | TAAR1CYP1A2CYP2D6CYP2C19HPGD | |
| SCHEMBL13967755 | 0.77 | NPSR1 (0.53) | MAPTALDH1A1KMT2AGAASRC | |
| SCHEMBL16358426 | 0.76 | ALOX15 (0.36) | TAAR1CYP1A2CYP2D6CYP2C19HPGD |
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-111925360-B | 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders | 赛诺维信制药公司 | 2024-03-22 | — | — | CN | disclosed |