Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4596725 | 0.91 | CHRM1 (0.33) | AQP1CYP1A2NPC1CYP2C19RAB9A | |
| SCHEMBL4596399 | 0.89 | HTR1A (0.34) | AQP1L3MBTL1ALDH1A1NPSR1MEN1 | |
| SCHEMBL4596984 | 0.89 | AQP1 (0.45) | AQP1CYP1A2NPC1CYP2D6CYP2C9 | |
| SCHEMBL4595082 | 0.88 | AQP1 (0.33) | AQP1DPP4SLC6A2SLC6A4MEN1 | |
| SCHEMBL4596103 | 0.86 | AQP1 (0.43) | AQP1CYP1A2NPC1CYP2D6CYP2C9 | |
| SCHEMBL6047944 | 0.85 | P2RX7 (0.38) | L3MBTL1SLC6A2SLC6A4 | |
| SCHEMBL4596675 | 0.83 | AQP1 (0.37) | AQP1L3MBTL1 | |
| SCHEMBL6047967 | 0.80 | MAPK1 (0.33) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL4596928 | 0.80 | PRKAB2 (0.35) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4596777 | 0.78 | SIRT2 (0.49) | AQP1CYP1A2NPC1CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |