Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6936315 | 0.90 | TSHR (0.41) | CYP1A2CYP2C19SLC6A2SLC6A3CA9 | |
| SCHEMBL9005245 | 0.85 | MAOA (0.43) | LMNACA12AKR1B10AKR1B1CA4 | |
| SCHEMBL10750641 | 0.85 | TSHR (0.35) | CYP1A2CYP2C19SLC6A2SLC6A3CA9 | |
| SCHEMBL27478897 | 0.84 | TSHR (0.34) | SLC6A2SLC6A3CA9ALDH1A1MAPT | |
| SCHEMBL11185353 | 0.83 | ALDH1A1 (0.43) | LMNASLC6A2SLC6A3ABCG2ALDH1A1 | |
| SCHEMBL5614230 | 0.82 | TSHR (0.36) | CYP2C19SLC6A2SLC6A3CA9ALDH1A1 | |
| SCHEMBL2409895 | 0.78 | ALDH1A1 (0.48) | CYP1A2LMNACYP2C19SLC6A2SLC6A3 | |
| SCHEMBL28253562 | 0.77 | ESR1 (0.39) | LMNASLC6A2HDAC6CA12CA7 | |
| SCHEMBL28253465 | 0.77 | ESR1 (0.39) | LMNASLC6A2HDAC6CA12CA7 | |
| SCHEMBL9626473 | 0.77 | MEN1 (0.36) | LMNAALDH1A1MAPTHPGDMEN1 |
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 |