Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8334114 | 0.81 | SLC9A1 (0.41) | SLC9A1TSHRCACNA1DMTNR1BMTNR1A | |
| SCHEMBL8332239 | 0.75 | SLC9A1 (0.48) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8098209 | 0.74 | MTNR1A (0.43) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8098211 | 0.74 | MTNR1A (0.43) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8716968 | 0.71 | SLC9A1 (0.48) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8331760 | 0.68 | HTR2C (0.44) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8330356 | 0.68 | SLC9A1 (0.44) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8333365 | 0.68 | SLC9A1 (0.47) | SLC9A1KDM4EALDH1A1GLAGAA | |
| SCHEMBL14518797 | 0.67 | HSD17B2 (0.57) | MTNR1BMTNR1A | |
| SCHEMBL29940269 | 0.67 | HSD17B2 (0.57) | MTNR1BMTNR1A |
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-5753709-A | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-19 | — | — | US | claimed |
| US-5889031-A | CONTROLLING CIRCADIAN RHYTHMS | BRISTOL-MYERS SQUIBB COMPNAY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5753709-A | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-19 | — | — | US | disclosed |