Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | FDPS | P14324 | 8/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GGPS1 | O95749 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16010827 | 0.77 | TSHR (0.44) | TSHRFDPSHTTALDH1A1GGPS1 | |
| SCHEMBL16010828 | 0.77 | TSHR (0.44) | TSHRFDPSHTTALDH1A1GGPS1 | |
| SCHEMBL16010886 | 0.73 | CHRNB2 (0.39) | TSHRFDPSHTTGGPS1KMT2A | |
| SCHEMBL14879868 | 0.73 | CHRNB2 (0.39) | TSHRFDPSHTTGGPS1KMT2A | |
| SCHEMBL19839277 | 0.68 | CYP1A2 (0.35) | HTTALDH1A1KDM4EGAAMAPT | |
| SCHEMBL523318 | 0.67 | MAPT (0.41) | TSHRHTTALDH1A1KDM4EGAA | |
| SCHEMBL21618277 | 0.66 | ALDH1A1 (0.46) | TSHRALDH1A1KDM4EGAAMAPT | |
| SCHEMBL1958200 | 0.66 | ALDH1A1 (0.46) | TSHRALDH1A1KDM4EGAAMAPT | |
| SCHEMBL3536691 | 0.66 | CA1 (0.38) | TSHRALDH1A1KMT2A | |
| SCHEMBL24842954 | 0.66 | KMT2A (0.38) | KDM4EKMT2A |
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-0579991-B1 | Method for the preparation of a bicyclic decalin ketone | FIRMENICH & CIE (CH) | 1998-09-16 | — | — | EP | disclosed |
| US-5453525-A | Chemical intermediates for perfumes | FIRMENICH SA (CH) | 1995-09-26 | — | — | 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-0579991-A2 | Method for the preparation of a bicyclic decalin ketone | FIRMENICH SA (CH) | 1994-01-26 | — | — | EP | disclosed |