Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | XBP1 | P17861 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | CNR1 | P21554 | 1/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.56 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.56 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8308787 | 0.92 | ALDH1A1 (0.79) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8304108 | 0.83 | TSHR (0.66) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8304199 | 0.83 | ALDH1A1 (0.70) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8311922 | 0.80 | HTT (0.65) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8311190 | 0.79 | ALDH1A1 (0.61) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8310878 | 0.79 | ALDH1A1 (0.66) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8308784 | 0.79 | KMT2A (0.67) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8308627 | 0.78 | KMT2A (0.73) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8309338 | 0.78 | ALDH1A1 (0.61) | ALDH1A1XBP1MAPTPOLBCNR1 | |
| SCHEMBL8311688 | 0.76 | ALDH1A1 (0.65) | ALDH1A1XBP1MAPTPOLBCNR1 |
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 |