Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | EEF2K | O00418 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11263600 | 0.89 | GAA (0.48) | POLBHTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11052114 | 0.88 | PDK1 (0.50) | POLBHTTMAPK1NPC1RAB9A | |
| SCHEMBL11053656 | 0.86 | HTT (0.50) | POLBHTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11049969 | 0.86 | MEN1 (0.50) | HTTNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL11057230 | 0.85 | HTT (0.43) | POLBHTTMAPK1RAB9AMEN1 | |
| SCHEMBL11056677 | 0.85 | HTT (0.46) | POLBHTTMAPK1MEN1KMT2A | |
| SCHEMBL11055981 | 0.85 | RAB9A (0.44) | POLBHTTMAPK1NPC1RAB9A | |
| SCHEMBL11052569 | 0.85 | ALDH1A1 (0.43) | POLBHTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11053981 | 0.85 | PDK1 (0.50) | POLBHTTMAPK1RAB9AMEN1 | |
| SCHEMBL11055583 | 0.84 | MAPT (0.47) | POLBHTTMAPK1NPC1RAB9A |
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 4 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-4326074-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | 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 |