Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL89139 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL31194817 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HSD17B10NAMPTGFERAURKA | |
| SCHEMBL10968213 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HSD17B10NAMPTGFERAURKA | |
| Benzo[D]Thiazole SCHEMBL27798130 | 0.81 | ALDH1A1 (0.76) | ALDH1A1HSD17B10NAMPTGFERAURKA | |
| Benzo[D]Thiazole SCHEMBL28087325 | 0.79 | ALDH1A1 (0.73) | ALDH1A1HSD17B10NAMPTGFERAURKA | |
| SCHEMBL10828 | 0.74 | — | — | |
| SCHEMBL29600620 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30834436 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HSD17B10NAMPTGFERAURKA | |
| Benzo[D]Thiazole SCHEMBL27256307 | 0.72 | ALDH1A1 (0.83) | ALDH1A1HSD17B10NAMPTGFERAURKA | |
| Benzo[D]Thiazole SCHEMBL28600155 | 0.69 | ALDH1A1 (0.76) | ALDH1A1HSD17B10NAMPTGFERAURKA |
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-0462009-B1 | Cephalosporins having in position 3 a propenyl radical substituted by a quaternary ammonium, their process for preparation, their use as medicaments, compositions containing them and intermediates | HOECHST MARION ROUSSEL INC (FR) | 1998-10-28 | — | — | EP | disclosed |