Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 13/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11761539 | 0.85 | KDM4E (0.44) | SLC6A9ABCB11 | |
| SCHEMBL4335576 | 0.82 | SLC6A9 (0.47) | SLC6A9IDO1 | |
| SCHEMBL11033509 | 0.76 | TSHR (0.51) | SLC6A9 | |
| SCHEMBL11758399 | 0.76 | SLC6A9 (0.47) | SLC6A9 | |
| SCHEMBL4336068 | 0.75 | SLC6A9 (0.43) | SLC6A9IDO1 | |
| SCHEMBL11759226 | 0.75 | RHEB (0.45) | SLC6A9ABCB11 | |
| SCHEMBL11829842 | 0.73 | MAPT (0.42) | SLC6A9 | |
| SCHEMBL11757151 | 0.73 | HPGD (0.45) | SLC6A9 | |
| SCHEMBL11760302 | 0.73 | GRIK1 (0.49) | SLC6A9 | |
| SCHEMBL11756825 | 0.73 | AGBL2 (0.55) | SLC6A9 |
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-4044010-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-4011222-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-03-08 | — | — | US | disclosed |
| US-3966737-A | NEUROLEPTIC | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |
| US-3954764-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1976-05-04 | — | — | US | disclosed |