Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TOP2A | P11388 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SPOP | O43791 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | BAX | Q07812 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21963921 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL22014780 | 0.89 | KDM4E (0.55) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL22015250 | 0.89 | KDM4E (0.55) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL22014785 | 0.87 | KDM4E (0.55) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL21964156 | 0.87 | TOP2B (0.49) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL22015248 | 0.87 | HPGD (0.54) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL22015249 | 0.87 | HPGD (0.54) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL8498659 | 0.86 | KDM4E (0.55) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL22015246 | 0.86 | HPGD (0.47) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL10379270 | 0.85 | KDM4E (0.49) | ALDH1A1HSD17B10KDM4ELMNAHPGD |
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-2020099858-A1 | CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) | 2020-05-22 | — | — | WO | disclosed |