Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16638724 | 0.88 | ALDH1A1 (0.50) | RAB9ASMN1; SMN2ALDH1A1HPGDDHODH | |
| SCHEMBL16627419 | 0.88 | RAB9A (0.61) | RAB9ASMN1; SMN2ALDH1A1HPGDGRM5 | |
| SCHEMBL16638725 | 0.87 | ALDH1A1 (0.49) | RAB9ASMN1; SMN2ALDH1A1HPGDDHODH | |
| SCHEMBL16638721 | 0.85 | ALDH1A1 (0.47) | RAB9ASMN1; SMN2ALDH1A1HPGDDHODH | |
| SCHEMBL16616331 | 0.84 | DHODH (0.50) | RAB9ASMN1; SMN2ALDH1A1HPGDGRM5 | |
| SCHEMBL16616330 | 0.84 | DHODH (0.50) | RAB9ASMN1; SMN2ALDH1A1HPGDGRM5 | |
| SCHEMBL16638722 | 0.83 | ALDH1A1 (0.46) | RAB9ASMN1; SMN2ALDH1A1HPGDMAPT | |
| SCHEMBL16616794 | 0.83 | SMN1; SMN2 (0.48) | RAB9ASMN1; SMN2ALDH1A1HPGDGRM5 | |
| SCHEMBL16616792 | 0.83 | SMN1; SMN2 (0.48) | RAB9ASMN1; SMN2ALDH1A1HPGDGRM5 | |
| SCHEMBL16616173 | 0.82 | DHODH (0.50) | RAB9ASMN1; SMN2ALDH1A1HPGDGRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9006451-B1 | 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2015-04-14 | — | — | US | disclosed |