Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11614313 | 0.82 | NPC1 (0.44) | KDM4EALDH1A1SMN1; SMN2NPC1CYP2C19 | |
| SCHEMBL11616262 | 0.81 | PTGDR2 (0.47) | KDM4EALDH1A1POLBSMN1; SMN2KMT2A | |
| SCHEMBL11611124 | 0.69 | NPC1 (0.47) | KDM4EALDH1A1SMN1; SMN2NPC1CYP2C19 | |
| SCHEMBL6304659 | 0.68 | ACHE (0.59) | KDM4EALDH1A1POLBSMN1; SMN2KMT2A | |
| SCHEMBL11611800 | 0.67 | PTGDR2 (0.45) | KDM4EALDH1A1SMN1; SMN2NPC1CYP2C19 | |
| SCHEMBL11616738 | 0.65 | MAPK1 (0.45) | KDM4EALDH1A1KMT2ARAB9AMEN1 | |
| SCHEMBL5672530 | 0.65 | DRD2 (0.56) | DRD3KDM4EALDH1A1SMN1; SMN2DRD2 | |
| SCHEMBL19433595 | 0.65 | MCL1 (0.64) | DRD3KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL20322904 | 0.64 | MCL1 (0.57) | DRD3KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL21533581 | 0.64 | FFAR4 (0.58) | DRD3KDM4EALDH1A1POLBSMN1; SMN2 |
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 |