Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL11041999 | 0.71 | HTT (0.59) | ALDH1A1SMN1; SMN2RAB9AMAPTMEN1 | |
| SCHEMBL16832401 | 0.70 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL11613508 | 0.69 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL11613282 | 0.68 | NPC1 (0.49) | SMN1; SMN2NPC1RAB9APKMMEN1 | |
| SCHEMBL14594621 | 0.68 | HTT (0.62) | ALDH1A1SMN1; SMN2RAB9AMAPTMEN1 | |
| SCHEMBL28087812 | 0.67 | HTT (0.60) | ALDH1A1SMN1; SMN2RAB9AMAPTMEN1 | |
| SCHEMBL11616709 | 0.66 | NPC1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9ADRD2 | |
| SCHEMBL5286113 | 0.66 | DRD2 (0.73) | ALDH1A1SMN1; SMN2MAPTPKMDRD2 | |
| SCHEMBL927603 | 0.66 | ALDH1A1 (0.57) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL11615339 | 0.65 | KMT2A (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT |
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 |