Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL21586875 | 0.81 | SLC6A2 (0.46) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL3829782 | 0.77 | SLC6A3 (0.41) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| Methyl Alcohol SCHEMBL9580463 | 0.73 | SLC6A2 (0.41) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL9430556 | 0.72 | SLC6A2 (0.40) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL18153995 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL8967653 | 0.71 | SLC6A2 (0.39) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL9870878 | 0.69 | SLC6A2 (0.58) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL9839481 | 0.68 | SLC6A3 (0.47) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL9839488 | 0.68 | SLC6A3 (0.47) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL13983003 | 0.67 | SLC6A4 (0.44) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0154528-B1 | ALKENE, ALKYNE OR CYCLOALKYLENE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-11 | — | — | EP | disclosed |
| US-5032592-A | Antiandrogens | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-07-16 | — | — | US | disclosed |
| US-4873329-A | ANTIANDROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-10-10 | — | — | US | disclosed |
| EP-0154528-A2 | Alkene, alkyne or cycloalkylene derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-09-11 | — | — | EP | disclosed |