Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL5609984 | 0.77 | HPRT1 (0.41) | CYP1A2CYP2A6ALDH1A1AHRTDP1 | |
| SCHEMBL5252633 | 0.75 | CYP1A2 (0.37) | DAOCYP1A2CYP2A6ALDH1A1AHR | |
| SCHEMBL5252634 | 0.75 | SLC6A2 (0.37) | CYP1A2CYP2A6ALDH1A1AHRCA3 | |
| SCHEMBL14075316 | 0.71 | CYP1A2 (0.37) | DAOCYP1A2CYP2A6ALDH1A1AHR | |
| SCHEMBL20356018 | 0.67 | CYP1A2 (0.46) | DAOCYP1A2CYP2A6CES2CES1 | |
| SCHEMBL78210 | 0.66 | CA1 (0.43) | CES2CES1 | |
| SCHEMBL8563678 | 0.64 | CYP1A2 (0.62) | CYP1A2CYP2A6CES2CES1ALDH1A1 | |
| SCHEMBL12260024 | 0.64 | CYP1A2 (0.55) | DAOCYP1A2CYP2A6ALDH1A1LMNA | |
| SCHEMBL12405217 | 0.64 | CYP1A2 (0.55) | DAOCYP1A2CYP2A6ALDH1A1LMNA | |
| SCHEMBL12277510 | 0.64 | CYP1A2 (0.55) | DAOCYP1A2CYP2A6ALDH1A1LMNA |
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 |