Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3515445 | 0.83 | OPRM1 (0.35) | ALDH1A1TSHROPRM1OPRD1KDM4E | |
| SCHEMBL23292260 | 0.78 | PDE4A (0.39) | ALDH1A1TSHRPDE4APDE4CPDE4D | |
| SCHEMBL29922710 | 0.78 | PDE4A (0.39) | ALDH1A1TSHRPDE4APDE4CPDE4D | |
| SCHEMBL16274844 | 0.74 | ESR2 (0.36) | ALDH1A1TSHRKDM4EHSD17B10MEN1 | |
| SCHEMBL23292188 | 0.66 | PDE4A (0.42) | ALDH1A1KDM4EPDE4APDE4CPDE4D | |
| SCHEMBL17156594 | 0.65 | TSHR (0.40) | ALDH1A1TSHRKDM4EMEN1KMT2A | |
| SCHEMBL249779 | 0.65 | METAP2 (0.64) | KDM4EPDE4APDE4CPDE4DSLC40A1 | |
| SCHEMBL16072722 | 0.64 | KCNA3 (0.46) | MAPTLMNAL3MBTL1MAPK1HTT | |
| SCHEMBL6636842 | 0.64 | PDE4A (0.43) | KDM4EPDE4APDE4CPDE4DSLC40A1 | |
| SCHEMBL3515379 | 0.63 | KDM4E (0.45) | ALDH1A1TSHROPRM1OPRD1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044068-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | Merck & Co., Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010964-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |