Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7852626 | 1.00 | ALDH1A1 (0.38) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8695749 | 1.00 | ALDH1A1 (0.38) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7853126 | 0.90 | — | — | |
| SCHEMBL7852422 | 0.89 | POLB (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8697881 | 0.89 | CYP3A4 (0.35) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7841699 | 0.89 | CYP3A4 (0.35) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL8695363 | 0.88 | ALDH1A1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Bromide SCHEMBL8693293 | 0.88 | ALDH1A1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8693387 | 0.86 | ALDH1A1 (0.39) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7851219 | 0.86 | ALDH1A1 (0.39) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0726270-B1 | Derivatives of 1,6-naphthyridone carboxylic acids | BAYER AG (DE) | 2001-05-23 | — | — | EP | disclosed |
| EP-0726270-A1 | Derivatives of 1,6-naphthyridine carboxylic acids | BAYER AG (DE) | 1996-08-14 | — | — | EP | disclosed |