Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21157883 | 0.91 | PTGDR2 (0.50) | ALDH1A1CYP3A4NOS3NOS1NOS2 | |
| SCHEMBL27811448 | 0.85 | SIGMAR1 (0.49) | ALDH1A1CYP3A4SIGMAR1DRD2DRD3 | |
| SCHEMBL15718389 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP3A4NOS3NOS1NOS2 | |
| SCHEMBL30888638 | 0.80 | PTGDR2 (0.45) | CYP3A4NOS3NOS1NOS2MEN1 | |
| SCHEMBL249758 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP3A4NOS3NOS1NOS2 | |
| SCHEMBL4253290 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP3A4NOS3NOS1NOS2 | |
| SCHEMBL21617063 | 0.79 | PARP10 (0.40) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL27831702 | 0.77 | HTR2A (0.48) | ALDH1A1NOS3NOS1NOS2SIGMAR1 | |
| SCHEMBL14142880 | 0.77 | GRM7 (0.44) | ALDH1A1NOS3NOS1NOS2MEN1 | |
| SCHEMBL13188649 | 0.76 | PTGDR2 (0.42) | ALDH1A1CYP3A4NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |