Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | PRKDC | P78527 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10735015 | 0.92 | RAB9A (0.54) | RAB9ANPC1PRKDCL3MBTL1MAPT | |
| SCHEMBL10732793 | 0.87 | RAB9A (0.51) | RAB9ANPC1PRKDCL3MBTL1MAPT | |
| SCHEMBL10729358 | 0.83 | PRKDC (0.48) | RAB9ANPC1PRKDCL3MBTL1MAPT | |
| SCHEMBL10730934 | 0.81 | HTR1A (0.38) | KCNH2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL10735603 | 0.80 | RAB9A (0.45) | RAB9ANPC1L3MBTL1HPGDNPSR1 | |
| SCHEMBL10731193 | 0.80 | LSS (0.39) | KCNH2DRD2HTR1AHTR2A | |
| SCHEMBL10731567 | 0.76 | ALDH1A1 (0.44) | L3MBTL1MAPTHPGDKMT2ATDP1 | |
| SCHEMBL10734216 | 0.75 | RAB9A (0.44) | RAB9ANPC1L3MBTL1HPGDNPSR1 | |
| SCHEMBL10734618 | 0.75 | ESR1 (0.41) | RAB9ANPC1MAPTALDH1A1HTR7 | |
| SCHEMBL10730137 | 0.74 | ESR1 (0.40) | RAB9ANPC1MAPTKCNH2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4644064-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1987-02-17 | — | — | US | disclosed |
| US-4504669-A | DIURETIC | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-03-12 | — | — | US | disclosed |
| US-4452804-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4427691-A | DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-01-24 | — | — | US | disclosed |
| EP-0058977-A1 | 1,2-Benzisoxazoloxyethylamines, their intermediates, a process for their preparation, pharmaceutical composition containing the same and their use as diuretics | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-09-01 | — | — | EP | disclosed |