Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL711085 | 0.85 | CYP2D6 (0.56) | HPGDHTTNPC1CYP2D6CYP2C9 | |
| SCHEMBL6825084 | 0.78 | CYP2D6 (0.49) | HPGDHTTNPC1CYP2D6CYP2C9 | |
| SCHEMBL10192087 | 0.68 | HTT (0.88) | HPGDHTTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25547148 | 0.68 | MEN1 (0.62) | HPGDHTTTSHRNPC1RAB9A | |
| SCHEMBL3805178 | 0.67 | ALDH1A1 (0.48) | HPGDNPC1CYP2D6CYP2C9CYP2C19 | |
| Toluene SCHEMBL3093422 | 0.67 | TSHR (0.69) | HPGDTSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL425784 | 0.67 | CYP2D6 (0.58) | HPGDHTTTSHRCYP2D6CYP2C9 | |
| Acetaldehyde SCHEMBL27589673 | 0.67 | F2 (0.46) | HPGDHTTTSHRCYP2D6CYP2C9 | |
| SCHEMBL1164889 | 0.66 | CYP2D6 (0.62) | HPGDHTTNPC1CYP2D6CYP2C9 | |
| SCHEMBL24254325 | 0.66 | CYP2D6 (0.67) | HPGDHTTTSHRNPC1CYP2D6 |
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-109715615-A | Biaryl methyl heterocycles | 蒙特利尔大学 | 2019-05-03 | — | — | CN | disclosed |