Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5251220 | 0.80 | CYP1A2 (0.50) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL294408 | 0.77 | CYP1A2 (0.48) | CYP1A2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL12677887 | 0.75 | CYP1A2 (0.45) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL5251216 | 0.75 | CYP1A2 (0.45) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL8376482 | 0.73 | BRD4 (0.40) | CYP1A2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL8743890 | 0.70 | CYP1A2 (0.62) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL11576428 | 0.69 | CYP1A2 (0.52) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL10794827 | 0.68 | CYP1A2 (0.47) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL599080 | 0.68 | CYP1A2 (0.54) | CYP1A2LMNAALDH1A1KDM4EGAA | |
| SCHEMBL23322803 | 0.67 | CYP1A2 (0.50) | CYP1A2LMNAALDH1A1KDM4EGAA |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |