Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11611124 | 0.86 | NPC1 (0.47) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL11611800 | 0.83 | PTGDR2 (0.45) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL11614755 | 0.82 | DRD3 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL11614116 | 0.76 | PTGIR (0.44) | NPC1RAB9APKMSMN1; SMN2CYP2C19 | |
| SCHEMBL11612842 | 0.74 | KMT2A (0.52) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL11613428 | 0.70 | PTGDR2 (0.39) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL11616738 | 0.70 | MAPK1 (0.45) | RAB9AALDH1A1KMT2ALMNAHPGD | |
| SCHEMBL11614849 | 0.70 | NPSR1 (0.49) | NPC1RAB9AALDH1A1KMT2ACYP2C19 | |
| SCHEMBL11613095 | 0.70 | NPC1 (0.41) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL11618645 | 0.69 | NPC1 (0.40) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 |
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 |