Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1809752 | 0.82 | HSD17B10 (0.61) | ALDH1A1HPGDMAPTHSD17B10KDM4E | |
| SCHEMBL975681 | 0.80 | NCEH1 (0.53) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL1803536 | 0.80 | KDM4E (0.44) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL426582 | 0.80 | ABCG2 (0.54) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL30714893 | 0.80 | ABCG2 (0.54) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL4835012 | 0.80 | NCEH1 (0.53) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL16869403 | 0.80 | NCEH1 (0.53) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL23391023 | 0.78 | NCEH1 (0.51) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL2424747 | 0.78 | NCEH1 (0.51) | NCEH1ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL1392829 | 0.78 | NCEH1 (0.51) | NCEH1ALDH1A1HPGDMAPTHSD17B10 |
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 |