Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493563 | 0.96 | SIGMAR1 (0.50) | ALDH1A1KDM4EMEN1KMT2ASIGMAR1 | |
| SCHEMBL9493252 | 0.83 | OPRD1 (0.52) | ALDH1A1SIGMAR1 | |
| SCHEMBL9493831 | 0.76 | SIGMAR1 (0.69) | SIGMAR1MAPTSMN1; SMN2 | |
| SCHEMBL9496323 | 0.76 | SIGMAR1 (0.69) | SIGMAR1MAPTSMN1; SMN2 | |
| SCHEMBL9493289 | 0.76 | SIGMAR1 (0.51) | ALDH1A1KDM4EMEN1KMT2ASIGMAR1 | |
| SCHEMBL9494197 | 0.72 | OPRM1 (0.69) | — | |
| SCHEMBL9494140 | 0.71 | SIGMAR1 (0.51) | ALDH1A1KDM4EMEN1KMT2ASIGMAR1 | |
| SCHEMBL7966344 | 0.71 | SIGMAR1 (0.64) | SIGMAR1MAPTSMN1; SMN2 | |
| SCHEMBL9644180 | 0.71 | SIGMAR1 (0.64) | SIGMAR1MAPTSMN1; SMN2 | |
| SCHEMBL19254910 | 0.69 | ALDH1A1 (0.70) | ALDH1A1KDM4EMEN1KMT2ASIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0329563-B1 | BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-21 | — | — | EP | disclosed |