Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11049578 | 0.92 | RAB9A (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11053331 | 0.87 | HTT (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11052104 | 0.87 | HTT (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11254493 | 0.86 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11049811 | 0.85 | MAPK1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11049789 | 0.85 | NPC1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11052394 | 0.85 | NPC1 (0.40) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11263137 | 0.82 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11052848 | 0.82 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL11057127 | 0.81 | HTT (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 |
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-4488993-A | Amidinoureas | WILLIAM H. RORER, INC. | 1984-12-18 | — | — | US | disclosed |
| US-4220658-A | Treatment of hypertension with amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-02 | — | — | US | disclosed |
| US-4088785-A | HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-05-09 | — | — | US | disclosed |