Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270607 | 0.78 | LCK (0.59) | LCKFYNDAOCES2CES1 | |
| SCHEMBL3959577 | 0.77 | SMN1; SMN2 (0.51) | CES2CES1HPGDNPC1RAB9A | |
| SCHEMBL2331029 | 0.77 | SMN1; SMN2 (0.51) | CES2CES1HPGDNPC1RAB9A | |
| SCHEMBL27263947 | 0.77 | HDAC1 (0.62) | LCKFYNDAOCES2CES1 | |
| Methyl Alcohol SCHEMBL8740643 | 0.75 | SMN1; SMN2 (0.50) | CES2CES1HPGDNPC1RAB9A | |
| SCHEMBL31465158 | 0.74 | CES2 (0.50) | LCKFYNDAOCES2CES1 | |
| SCHEMBL8654881 | 0.70 | CA1 (0.52) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9466165 | 0.70 | LCK (0.48) | LCKFYNDAOCES2CES1 | |
| SCHEMBL9466169 | 0.70 | LCK (0.48) | LCKFYNDAOCES2CES1 | |
| SCHEMBL10425 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739333-B1 | SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS | DU PONT (US) | 1998-10-14 | — | — | EP | claimed |