Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | RHEB | Q15382 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL835025 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL836059 | 0.84 | RHEB (0.50) | ALDH1A1CYP2C9ALOX15TSHRNPSR1 | |
| SCHEMBL14300144 | 0.83 | RXFP1 (0.58) | ALDH1A1TSHRHSD17B10NPSR1HPGD | |
| SCHEMBL835184 | 0.82 | KDM4E (0.58) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL835232 | 0.82 | KDM4E (0.44) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL836066 | 0.80 | RXFP1 (0.48) | ALDH1A1HSD17B10NPSR1HPGDRHEB | |
| SCHEMBL836042 | 0.77 | HTT (0.49) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL835001 | 0.76 | RXFP1 (0.44) | ALDH1A1HSD17B10NPSR1RHEBKDM4E | |
| SCHEMBL835197 | 0.75 | RXFP1 (0.49) | ALDH1A1CYP3A4CYP2C19CYP1A2ALOX15 | |
| SCHEMBL30901294 | 0.75 | NQO2 (0.61) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143276-B2 | 4-thio substituted quinoline and naphthyridine compounds | XTL BIOPHARMACEUTICALS LTD. (IL) | 2012-03-27 | — | — | US | disclosed |