Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | F2 | P00734 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | HTT | P42858 | 3/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | USP2 | O75604 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.62 |
| ▸ | BACE1 | P56817 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL8308860 | 1.00 | TP53 (0.70) | TP53ALDH1A1LMNATSHRHPGD | |
| SCHEMBL8312634 | 0.99 | TP53 (0.68) | TP53ALDH1A1LMNATSHRHPGD | |
| SCHEMBL8307633 | 0.92 | ALDH1A1 (0.78) | TP53ALDH1A1LMNATSHRHPGD | |
| SCHEMBL8303967 | 0.89 | TP53 (0.58) | TP53ALDH1A1LMNATSHRHPGD | |
| SCHEMBL8305965 | 0.86 | TP53 (0.82) | TP53ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL8312636 | 0.86 | TP53 (0.77) | TP53ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL8312221 | 0.86 | TP53 (0.79) | TP53ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL8312476 | 0.86 | TP53 (0.79) | TP53ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL8311325 | 0.86 | TP53 (0.77) | TP53ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL8311835 | 0.86 | TP53 (0.76) | TP53ALDH1A1LMNAKDM4EHTT |
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 |