Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5624907 | 0.72 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1101919 | 0.69 | SMN1; SMN2 (0.58) | SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL15116256 | 0.68 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1105461 | 0.67 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL23782803 | 0.65 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4107462 | 0.65 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29618412 | 0.65 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5624979 | 0.65 | SMN1; SMN2 (1.00) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6122260 | 0.65 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29741196 | 0.65 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19 |
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-103102303-B | As the benzyl amine derivative of CETP inhibitor | DR. REDDY'S LABORATORIES LTD. (IN) | 2015-10-28 | — | — | CN | disclosed |