Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11612842 | 0.83 | KMT2A (0.52) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL11615915 | 0.80 | KMT2A (0.52) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL11617967 | 0.80 | KMT2A (0.45) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL21808533 | 0.78 | HRH3 (0.48) | GAAKMT2AALDH1A1MAPTADORA2A | |
| Hydrochloric Acid SCHEMBL21808492 | 0.77 | HRH3 (0.47) | GAAKMT2AALDH1A1MAPTADORA2A | |
| SCHEMBL11611989 | 0.76 | KMT2A (0.50) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL11618777 | 0.75 | KMT2A (0.49) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL11616704 | 0.74 | KMT2A (0.47) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL5104855 | 0.72 | GAA (0.66) | NPC1GAAKMT2AALDH1A1MEN1 | |
| SCHEMBL11612294 | 0.72 | RAB9A (0.48) | GAAKMT2AALDH1A1MEN1MAPT |
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-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4117143-A | USED AS ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |