Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9567721 | 0.92 | HTR2C (0.41) | HTR2CGBA1LMNAMAPTHTT | |
| SCHEMBL9246033 | 0.76 | ALDH1A1 (0.35) | GBA1LMNAMAPTHTTNPSR1 | |
| SCHEMBL8717990 | 0.74 | GBA1 (0.44) | GBA1 | |
| SCHEMBL9248113 | 0.74 | GBA1 (0.44) | GBA1 | |
| SCHEMBL9246821 | 0.74 | GBA1 (0.37) | GBA1EPHX2 | |
| SCHEMBL9241766 | 0.74 | GBA1 (0.37) | GBA1EPHX2 | |
| SCHEMBL9241761 | 0.74 | GBA1 (0.37) | GBA1EPHX2 | |
| SCHEMBL9249900 | 0.73 | CES2 (0.33) | CES2GBA1EPHX2 | |
| SCHEMBL9243873 | 0.72 | HTT (0.43) | GBA1HTT | |
| SCHEMBL9243872 | 0.72 | HTT (0.43) | GBA1HTT |
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-5453525-A | Chemical intermediates for perfumes | FIRMENICH SA (CH) | 1995-09-26 | — | — | US | disclosed |
| US-5449785-A | Fungicides with triazole groups | HOFFMANN-LA ROCHE INC. (US) | 1995-09-12 | — | — | US | disclosed |
| US-5386039-A | Preparing perhydro-5,5,8a-trimethyl-2-naphthalenone; acidic cyclization; decarboxylation in base | FIRMENICH SA (CH) | 1995-01-31 | — | — | US | disclosed |
| EP-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | disclosed |