Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449514 | 0.84 | MAPT (0.48) | ALDH1A1CA1CA2MAPTKDM4E | |
| SCHEMBL6449519 | 0.84 | MAPT (0.48) | ALDH1A1CA1CA2MAPTKDM4E | |
| SCHEMBL6076687 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TDP1CA1CA2MAPT | |
| SCHEMBL6076692 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TDP1CA1CA2MAPT | |
| SCHEMBL11126724 | 0.80 | TSHR (0.80) | ALDH1A1TSHRHSD17B10TDP1CA1 | |
| SCHEMBL8387044 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRHSD17B10TDP1CA1 | |
| SCHEMBL6871655 | 0.75 | KMT2A (0.60) | ALDH1A1TSHRTDP1CA1CA2 | |
| SCHEMBL13936435 | 0.75 | SRC (0.50) | ALDH1A1TSHRCA1CA2MAPT | |
| SCHEMBL27696809 | 0.75 | ALDH1A1 (0.72) | ALDH1A1TSHRHSD17B10TDP1CA1 | |
| SCHEMBL476527 | 0.75 | ALDH1A1 (0.71) | ALDH1A1TSHRHSD17B10TDP1CA1 |
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-1617849-A | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2005-05-18 | — | — | CN | disclosed |