Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 13/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29412737 | 0.91 | SIGMAR1 (0.47) | SIGMAR1SLC18A3ALDH1A1MAPT | |
| SCHEMBL7320066 | 0.91 | SIGMAR1 (0.47) | SIGMAR1SLC18A3ALDH1A1MAPT | |
| SCHEMBL11632591 | 0.84 | SIGMAR1 (0.43) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL11633835 | 0.79 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP2D6TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL30343200 | 0.78 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL8329233 | 0.78 | SLC18A3 (0.36) | SIGMAR1SLC18A3 | |
| SCHEMBL7322425 | 0.77 | SLC6A4 (0.41) | SIGMAR1SLC18A3 | |
| Hydrochloric Acid SCHEMBL7314216 | 0.77 | OPRM1 (0.36) | SIGMAR1SLC18A3 | |
| SCHEMBL7326682 | 0.76 | SIGMAR1 (0.57) | SIGMAR1CYP1A2CYP2D6TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL9152015 | 0.75 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2D6TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6235791-B1 | USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE | SANOFI-SYNTHELABO (FR) | 2001-05-22 | — | — | US | disclosed |
| EP-0917464-A1 | USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION | SANOFI (FR) | 1999-05-26 | — | — | EP | disclosed |
| WO-1998004251-A1 | USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION | SANOFI (FR) | 1998-02-05 | — | — | WO | disclosed |