Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.38 |
| ▸ | ELANE | P08246 | 6/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5248752 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP2A6GABRA1GABRB2ELANE | |
| SCHEMBL5248750 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2A6GABRA1GABRB2ELANE | |
| SCHEMBL18244315 | 0.78 | GABRA1 (0.44) | CYP1A2GABRA1GABRB2ELANEDAO | |
| SCHEMBL22824269 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP2A6PARP1KDM4ETDP1 | |
| SCHEMBL18242839 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP2A6KDM4ETP53HTR6 | |
| SCHEMBL3244580 | 0.73 | GABRA1 (0.52) | CYP1A2GABRA1GABRB2ELANEDAO | |
| SCHEMBL24630603 | 0.72 | GABRA1 (0.48) | GABRA1GABRB2ELANEDAOKDM4E | |
| SCHEMBL26715141 | 0.72 | ELANE (0.42) | CYP1A2CYP2A6GABRA1GABRB2ELANE | |
| SCHEMBL23070782 | 0.71 | CYP1A2 (0.53) | CYP1A2CYP2A6GABRA1GABRB2ELANE | |
| SCHEMBL21371241 | 0.70 | CYP1A2 (0.39) | CYP1A2CYP2A6GABRA1GABRB2DAO |
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 |