Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11537169 | 0.82 | PIM1 (0.40) | DAOPIM1GPR35POLBTDP1 | |
| SCHEMBL11532310 | 0.79 | MAPT (0.48) | ALDH1A1DAOGPR35L3MBTL1POLB | |
| SCHEMBL11536698 | 0.77 | ALDH1A1 (0.46) | ALDH1A1PIM1POLBKMT2ATDP1 | |
| SCHEMBL11532265 | 0.74 | RAB9A (0.50) | ALDH1A1PIM1GPR35POLBKMT2A | |
| SCHEMBL11535390 | 0.73 | DAO (0.41) | DAOPIM1GPR35POLBHPGD | |
| SCHEMBL11530908 | 0.73 | PIM1 (0.34) | DAOPIM1GPR35ADORA2APOLB | |
| SCHEMBL11535276 | 0.73 | NPC1 (0.45) | ALDH1A1DAOGPR35L3MBTL1POLB | |
| SCHEMBL10862875 | 0.69 | PIM1 (0.40) | ALDH1A1DAOPIM1GPR35POLB | |
| SCHEMBL10852840 | 0.69 | PIM1 (0.37) | DAOPIM1GPR35POLBHPGD | |
| SCHEMBL11166639 | 0.68 | PIM1 (0.32) | DAOPIM1GPR35POLBHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4085117-A | DIURETIC-SALURETIC, URICOSURIC, HYPOTENSIVE, ANTIKALURETIC AGENTS | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | claimed |
| US-4154742-A | DIURETICS | MERCK & CO., INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4085117-A | DIURETIC-SALURETIC, URICOSURIC, HYPOTENSIVE, ANTIKALURETIC AGENTS | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | disclosed |