Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8097656 | 1.00 | SIRT2 (0.46) | SIRT2CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL8097924 | 0.89 | MTNR1A (0.43) | SIRT2MTNR1AMTNR1BITGB3ITGAV | |
| SCHEMBL8097927 | 0.89 | MTNR1A (0.43) | SIRT2MTNR1AMTNR1BITGB3ITGAV | |
| SCHEMBL8104676 | 0.86 | CNR1 (0.45) | MTNR1AMTNR1BALDH1A1CNR2 | |
| SCHEMBL8104672 | 0.86 | CNR1 (0.45) | MTNR1AMTNR1BALDH1A1CNR2 | |
| SCHEMBL8096172 | 0.85 | MTNR1A (0.55) | MTNR1AMTNR1BHPGDFFAR1 | |
| SCHEMBL8096171 | 0.85 | MTNR1A (0.55) | MTNR1AMTNR1BHPGDFFAR1 | |
| SCHEMBL8101950 | 0.85 | SIRT2 (0.45) | SIRT2MTNR1AMTNR1BALDH1A1CNR2 | |
| SCHEMBL8101946 | 0.85 | SIRT2 (0.45) | SIRT2MTNR1AMTNR1BALDH1A1CNR2 | |
| SCHEMBL8097222 | 0.84 | MTNR1A (0.50) | MTNR1AMTNR1BHPGDSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0747346-B1 | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL MYERS SQUIBB CO (US) | 2000-02-16 | — | — | EP | disclosed |
| EP-0747346-A2 | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |