Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL11520648 | 1.00 | CES2 (0.46) | CES2CES1LCKFYNDAO | |
| SCHEMBL11520656 | 0.83 | CES2 (0.46) | CES2CES1LCKFYNDAO | |
| SCHEMBL10332546 | 0.75 | TSHR (0.45) | CES2CES1DAOHPGDNPC1 | |
| SCHEMBL10332547 | 0.75 | TSHR (0.45) | CES2CES1DAOHPGDNPC1 | |
| SCHEMBL10332379 | 0.74 | CA1 (0.47) | CES2HPGDMAPTTDP1KDM4E | |
| SCHEMBL10332380 | 0.74 | CA1 (0.47) | CES2HPGDMAPTTDP1KDM4E | |
| SCHEMBL6815908 | 0.73 | CES2 (0.43) | CES2CES1LCKFYNDAO | |
| SCHEMBL11520466 | 0.72 | HPGD (0.44) | CES2CES1HPGDNPC1RAB9A | |
| SCHEMBL11520462 | 0.72 | HPGD (0.44) | CES2CES1HPGDNPC1RAB9A | |
| SCHEMBL1554701 | 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 |
|---|---|---|---|---|---|---|---|
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |