Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056188 | 0.76 | MEN1 (0.50) | ALDH1A1 | |
| SCHEMBL27554865 | 0.73 | MEN1 (0.32) | ALDH1A1 | |
| SCHEMBL30707812 | 0.71 | ALDH1A1 (0.55) | ALDH1A1VCAM1HSD17B10KDM4ERAB9A | |
| SCHEMBL9649413 | 0.71 | ALDH1A1 (0.55) | ALDH1A1VCAM1HSD17B10KDM4ERAB9A | |
| SCHEMBL15652031 | 0.71 | ALDH1A1 (0.50) | ALDH1A1VCAM1HSD17B10ALDH1A3ALDH3A1 | |
| SCHEMBL19157077 | 0.71 | ALDH1A1 (0.59) | ALDH1A1VCAM1HSD17B10ALDH1A3ALDH3A1 | |
| SCHEMBL48577 | 0.71 | ALDH1A1 (1.00) | ALDH1A1VCAM1HSD17B10ALDH1A3ALDH3A1 | |
| SCHEMBL29364412 | 0.71 | ALDH1A1 (1.00) | ALDH1A1VCAM1HSD17B10ALDH1A3ALDH3A1 | |
| SCHEMBL27329147 | 0.70 | SLC22A12 (0.31) | — | |
| SCHEMBL27286217 | 0.69 | ALDH1A1 (0.64) | ALDH1A1KDM4ERAB9ATSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1307565-A | Quinolones used as MRS inhibitor and bactericides | SMITHKLINE BEECHAM PLC (GB) | 2001-08-08 | — | — | CN | disclosed |