Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | EBP | Q15125 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317897 | 1.00 | SIGMAR1 (0.45) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL7317905 | 1.00 | SIGMAR1 (0.45) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8330429 | 0.89 | SIGMAR1 (0.43) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| SCHEMBL8330431 | 0.89 | SIGMAR1 (0.43) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| SCHEMBL25317113 | 0.83 | SIGMAR1 (0.51) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| SCHEMBL8524209 | 0.83 | SIGMAR1 (0.51) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| SCHEMBL30494033 | 0.83 | SIGMAR1 (0.51) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| Hydrochloric Acid SCHEMBL7324521 | 0.82 | SIGMAR1 (0.50) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| Hydrochloric Acid SCHEMBL7324525 | 0.82 | SIGMAR1 (0.50) | SIGMAR1MEN1KMT2AHTR1AADRA1B | |
| Hydrochloric Acid SCHEMBL7324536 | 0.82 | SIGMAR1 (0.50) | SIGMAR1MEN1KMT2AHTR1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-6235791-B1 | USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE | SANOFI-SYNTHELABO (FR) | 2001-05-22 | — | — | US | disclosed |