Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | LIPE | Q05469 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7416174 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7701320 | 0.85 | KMT2A (0.58) | SMN1; SMN2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL27696449 | 0.83 | HTT (0.57) | SMN1; SMN2ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL8668943 | 0.81 | KMT2A (0.54) | SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL8608392 | 0.81 | KMT2A (0.54) | SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL7288147 | 0.80 | CPA1 (0.53) | SMN1; SMN2ALDH1A1CYP1A2HTTMEN1 | |
| Benzenemethanethiol SCHEMBL7371355 | 0.80 | USP2 (0.46) | SMN1; SMN2ALDH1A1CYP2C19HTTLIPE | |
| Hydrochloric Acid SCHEMBL5849107 | 0.79 | KMT2A (0.53) | SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL7445195 | 0.79 | LIPE (0.63) | ALDH1A1HTTLIPEMEN1KMT2A | |
| SCHEMBL7287469 | 0.79 | LIPE (0.46) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19 |
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-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |