Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | CASP1 | P29466 | 3/20 | 0.33 |
| ▸ | CASP7 | P55210 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TOP2A | P11388 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | CCND2 | P30279 | 2/20 | 0.33 |
| ▸ | CCND3 | P30281 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9564475 | 0.97 | ALDH1A1 (0.34) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Hydrochloric Acid SCHEMBL9564479 | 0.86 | SCN5A (0.34) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL9121073 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL11004379 | 0.79 | KDM4E (0.44) | ALDH1A1CYP1A2HSD17B10HPGDTOP2A | |
| SCHEMBL9564465 | 0.77 | HSD17B10 (0.45) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL3136241 | 0.70 | TOP2A (0.47) | TOP2ATOP2BSCN5ANOTUMKCNH2 | |
| SCHEMBL6790985 | 0.68 | ALDH1A1 (0.61) | ALDH1A1CYP1A2HSD17B10HPGDTOP2A | |
| SCHEMBL11002683 | 0.68 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HSD17B10HPGDTOP2A | |
| SCHEMBL10817331 | 0.68 | TOP2A (0.47) | ALDH1A1TOP2ATOP2BSCN5ANOTUM | |
| Hydrochloric Acid SCHEMBL6248075 | 0.68 | KDM4E (0.60) | ALDH1A1CYP1A2HSD17B10HPGDTOP2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0531958-A1 | 6-Aminoquinolones, their synthesis and their use as antibacterial agents | MEDIOLANUM FARMACEUTICI S.P.A. (IT) | 1993-03-17 | — | — | EP | disclosed |