Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9858926 | 0.85 | SIRT2 (0.47) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| SCHEMBL5733557 | 0.81 | KDM4E (0.67) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| SCHEMBL11133778 | 0.80 | MEN1 (0.48) | ALDH1A1MAPTMEN1NPC1POLB | |
| SCHEMBL442767 | 0.80 | HTR1B (0.54) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| SCHEMBL29577853 | 0.80 | HTR1B (0.54) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| SCHEMBL1884690 | 0.79 | TRPA1 (0.48) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| Methane SCHEMBL10959030 | 0.78 | HTR1B (0.52) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| Lithium SCHEMBL6571336 | 0.78 | HTR1B (0.52) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| SCHEMBL7457103 | 0.78 | HTR1B (0.52) | ALDH1A1HPGDMAPTTDP1MEN1 | |
| Phosphine SCHEMBL28264511 | 0.78 | HTR1B (0.52) | ALDH1A1HPGDMAPTTDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1224183-B1 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2005-12-28 | — | — | EP | claimed |