Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CCR4 | P51679 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14969189 | 0.82 | IKBKB (0.35) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL14969297 | 0.79 | ACLY (0.36) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14969324 | 0.77 | CHRM2 (0.30) | — | |
| SCHEMBL14969233 | 0.73 | IKBKB (0.40) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL14969015 | 0.69 | KDM4E (0.39) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL3140166 | 0.66 | SLC1A3 (0.57) | SLC1A3SLC1A2SLC1A1MAPTCYP1A2 | |
| SCHEMBL14968966 | 0.63 | IKBKB (0.41) | ALDH1A1GAAKDM4EHPGDL3MBTL1 | |
| SCHEMBL7915450 | 0.62 | CYP2D6 (0.56) | SLC1A3SLC1A2SLC1A1MAPTCYP2C9 | |
| SCHEMBL30856551 | 0.62 | SLC1A3 (0.62) | SLC1A3SLC1A2SLC1A1CYP2C9CYP2C19 | |
| SCHEMBL14969065 | 0.60 | IKBKB (0.41) | ALDH1A1GAAKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013072882-A1 | 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-23 | — | — | WO | disclosed |