Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | WDR5 | P61964 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL164035 | 0.82 | WDR5 (0.68) | ALDH1A1HPGDWDR5LDHANR4A1 | |
| SCHEMBL165467 | 0.80 | WDR5 (0.50) | ALDH1A1HPGDMAPTWDR5LDHA | |
| SCHEMBL9618656 | 0.80 | TSHR (0.52) | ALDH1A1HPGDMAPTWDR5MAOB | |
| SCHEMBL975681 | 0.80 | NCEH1 (0.53) | ALDH1A1HPGDMAPTWDR5MAOB | |
| SCHEMBL29390177 | 0.80 | LDHA (0.69) | MAPTWDR5LDHAKDM4EMEN1 | |
| SCHEMBL431650 | 0.80 | LDHA (0.69) | MAPTWDR5LDHAKDM4EMEN1 | |
| SCHEMBL164091 | 0.79 | PLK1 (0.66) | ALDH1A1HPGDMAPTWDR5LDHA | |
| SCHEMBL161927 | 0.79 | MAPT (0.52) | ALDH1A1HPGDMAPTWDR5LDHA | |
| SCHEMBL163509 | 0.79 | KDM4E (0.48) | ALDH1A1HPGDMAPTWDR5LDHA | |
| SCHEMBL2831990 | 0.78 | CYP1A1 (0.55) | ALDH1A1HPGDMAPTWDR5MAOB |
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 |