Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.67 |
| ▸ | THRA | P10827 | 3/20 | 0.55 |
| ▸ | THRB | P10828 | 3/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9151024 | 1.00 | SIGMAR1 (0.67) | SIGMAR1THRATHRBHDAC1HPGD | |
| SCHEMBL9147658 | 1.00 | SIGMAR1 (0.67) | SIGMAR1THRATHRBHDAC1HPGD | |
| SCHEMBL9148170 | 1.00 | SIGMAR1 (0.67) | SIGMAR1THRATHRBHDAC1HPGD | |
| Fumaric Acid SCHEMBL9150199 | 0.93 | SIGMAR1 (0.58) | SIGMAR1THRATHRB | |
| Fumaric Acid SCHEMBL9150194 | 0.93 | SIGMAR1 (0.58) | SIGMAR1THRATHRB | |
| SCHEMBL27474196 | 0.87 | TAAR1 (0.62) | HPGDALDH1A1NPC1RAB9A | |
| SCHEMBL28251464 | 0.87 | HDAC1 (0.62) | HDAC1HPGDALDH1A1NPC1RAB9A | |
| SCHEMBL9146978 | 0.86 | TAAR1 (0.54) | SIGMAR1THRATHRBKCNH2 | |
| SCHEMBL9152006 | 0.86 | TAAR1 (0.54) | SIGMAR1THRATHRBKCNH2 | |
| SCHEMBL9148263 | 0.86 | BCL2L1 (0.56) | SIGMAR1THRATHRBHDAC1ALDH1A1 |
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 |