Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | THRA | P10827 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | LSS | P48449 | 9/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9154562 | 0.98 | TAAR1 (0.53) | TAAR1THRATHRBSIGMAR1LSS | |
| SCHEMBL9151639 | 0.86 | THRA (0.50) | TAAR1THRATHRBSIGMAR1KCNH2 | |
| SCHEMBL9147658 | 0.86 | SIGMAR1 (0.67) | THRATHRBSIGMAR1KCNH2 | |
| SCHEMBL9148170 | 0.86 | SIGMAR1 (0.67) | THRATHRBSIGMAR1KCNH2 | |
| SCHEMBL9147259 | 0.86 | SIGMAR1 (0.67) | THRATHRBSIGMAR1KCNH2 | |
| SCHEMBL9151024 | 0.86 | SIGMAR1 (0.67) | THRATHRBSIGMAR1KCNH2 | |
| SCHEMBL9148263 | 0.85 | BCL2L1 (0.56) | THRATHRBSIGMAR1KCNH2POLB | |
| SCHEMBL9146978 | 0.85 | TAAR1 (0.54) | TAAR1THRATHRBSIGMAR1LSS | |
| SCHEMBL9155037 | 0.83 | LSS (0.71) | LSS | |
| SCHEMBL9147748 | 0.83 | LSS (0.71) | LSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-0401798-B1 | Substituted aminoalkylbenzene derivatives | HOFFMANN LA ROCHE (CH) | 1995-01-11 | — | — | EP | disclosed |
| US-5137920-A | METHOD OF TREATING FUNGAL INFECTIONS | HOFFMANN-LA ROCHE INC. (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0401798-A2 | Substituted aminoalkylbenzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-12-12 | — | — | EP | disclosed |