Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | 0.81 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11614367 | 0.80 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2CYP2C19GAA | |
| SCHEMBL11614849 | 0.78 | NPSR1 (0.49) | NPC1RAB9ACYP2C19LMNAALDH1A1 | |
| SCHEMBL11613046 | 0.77 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11613095 | 0.76 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11613055 | 0.75 | MAPT (0.43) | SMN1; SMN2LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL11836426 | 0.72 | KMT2A (0.47) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL24844709 | 0.71 | MMP12 (0.51) | NPC1RAB9ASMN1; SMN2HPGDPKM | |
| SCHEMBL11612919 | 0.71 | HDAC6 (0.39) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11614313 | 0.69 | NPC1 (0.44) | 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 |