Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11614313 | 0.86 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11611800 | 0.86 | PTGDR2 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11614849 | 0.82 | NPSR1 (0.49) | NPC1RAB9ACYP2C19LMNAMEN1 | |
| SCHEMBL11613095 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11613140 | 0.81 | SMN1; SMN2 (0.44) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL11618645 | 0.81 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11612842 | 0.80 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11614116 | 0.79 | PTGIR (0.44) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11612470 | 0.79 | MTNR1A (0.44) | NPC1RAB9ACYP2C19HPGDLMNA | |
| SCHEMBL11613046 | 0.79 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD |
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 |