Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11615587 | 0.83 | TDP1 (0.49) | RAB9ASMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL11613508 | 0.83 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL11615627 | 0.81 | TDP1 (0.50) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL11615840 | 0.79 | TDP1 (0.48) | RAB9ASMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL11616914 | 0.76 | TDP1 (0.44) | RAB9ASMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL11612842 | 0.73 | KMT2A (0.52) | NPC1CYP2C19RAB9ASMN1; SMN2GAA | |
| SCHEMBL11618222 | 0.72 | KMT2A (0.50) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL13991168 | 0.72 | PTGS2 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL11612391 | 0.72 | RAB9A (0.46) | RAB9ASMN1; SMN2GAAMEN1ALDH1A1 | |
| SCHEMBL3792465 | 0.71 | TDP1 (0.56) | SMN1; SMN2MEN1KMT2ALMNATDP1 |
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 |