Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9018674 | 0.95 | CYP1A2 (0.50) | CYP1A2CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL9018717 | 0.87 | ALDH1A1 (0.56) | CYP1A2CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL9018739 | 0.81 | KDM4E (0.61) | CYP1A2CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL8609807 | 0.80 | SLC9A1 (0.42) | ALDH1A1MEN1KMT2ASLC9A1 | |
| SCHEMBL9018694 | 0.78 | SLC9A1 (0.44) | SLC9A1 | |
| SCHEMBL8614652 | 0.77 | CYP1A2 (0.62) | CYP1A2CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL14339199 | 0.76 | ALDH1A1 (0.52) | CYP1A2CYP2C9ALDH1A1KDM4EPOLB | |
| SCHEMBL9018693 | 0.74 | SLC9A1 (0.46) | SLC9A1 | |
| SCHEMBL9018705 | 0.74 | SLC9A1 (0.48) | SLC9A1 | |
| SCHEMBL8610122 | 0.73 | SLC9A1 (0.40) | SLC9A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5747539-A | Fluorine-containing benzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-05-05 | — | — | US | disclosed |