Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCND2 | P30279 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | IDH2 | P48735 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11052210 | 0.89 | CDK4 (0.37) | HCAR1CDK4CCND1CCND2CCND3 | |
| SCHEMBL11050195 | 0.84 | HCAR1 (0.39) | HCAR1CHRNA7 | |
| SCHEMBL11056638 | 0.83 | HCAR1 (0.43) | HCAR1CDK4CCND1CCND2CCND3 | |
| SCHEMBL11058209 | 0.81 | HCAR1 (0.38) | HCAR1CHRNA7KMT2ASMN1; SMN2 | |
| SCHEMBL11053099 | 0.80 | HCAR1 (0.37) | HCAR1CDK4CCND1CCND2CCND3 | |
| SCHEMBL11054647 | 0.80 | HCAR1 (0.37) | HCAR1CDK4CCND1CCND2CCND3 | |
| SCHEMBL11061669 | 0.79 | WEE1 (0.44) | CDK4CCND1CCND2CCND3CHRNA7 | |
| SCHEMBL11053291 | 0.78 | HCAR1 (0.35) | HCAR1CHRNA7KMT2A | |
| SCHEMBL11057004 | 0.77 | LCK (0.43) | NPC1CYP1A2SMN1; SMN2 | |
| SCHEMBL11057092 | 0.75 | CHRNA7 (0.44) | HCAR1CHRNA7 |
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-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |