Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | HTT | P42858 | 1/20 | 0.74 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.74 |
| ▸ | TP53 | P04637 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | BACE1 | P56817 | 1/20 | 0.59 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | CNR2 | P34972 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.55 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8311849 | 1.00 | ALDH1A1 (0.74) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8306277 | 0.99 | ALDH1A1 (0.75) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8312212 | 0.90 | TP53 (0.82) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8311212 | 0.88 | TP53 (0.76) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8311835 | 0.88 | TP53 (0.76) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8306993 | 0.87 | MAPT (0.70) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8308783 | 0.87 | TP53 (0.75) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8305965 | 0.84 | TP53 (0.82) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8312221 | 0.84 | TP53 (0.79) | ALDH1A1HTTRXFP1TP53MAPT | |
| SCHEMBL8312476 | 0.84 | TP53 (0.79) | ALDH1A1HTTRXFP1TP53MAPT |
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-2004078731-A1 | QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) | 2004-09-16 | — | — | WO | disclosed |