Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11259908 | 0.87 | CYP1A2 (0.36) | CYP1A2CA1CA2GPR35POLB | |
| SCHEMBL11249398 | 0.83 | MAPK1 (0.41) | CA1CA2POLB | |
| SCHEMBL11256747 | 0.78 | CYP1A2 (0.36) | CYP1A2POLB | |
| SCHEMBL11250511 | 0.78 | CYP1A2 (0.40) | CYP1A2POLB | |
| SCHEMBL11844269 | 0.77 | GPR35 (0.30) | GPR35 | |
| SCHEMBL11084025 | 0.76 | CYP1A2 (0.41) | CYP1A2CA1CA2POLB | |
| SCHEMBL11843395 | 0.75 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL11848319 | 0.74 | GPR35 (0.33) | GPR35 | |
| SCHEMBL11251379 | 0.73 | CYP1A2 (0.36) | CYP1A2POLB | |
| SCHEMBL11253044 | 0.72 | MAPT (0.56) | CYP1A2POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4326074-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4115564-A | Treatment of diarrhea with amidinoureas | WILLIAM H. RORER, INC. (US) | 1978-09-19 | — | — | US | disclosed |