Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11514146 | 0.77 | CA2 (0.45) | CES2NOS3NOS1NOS2CES1 | |
| SCHEMBL1130268 | 0.76 | NOS3 (0.40) | NOS3NOS1NOS2CES1ALDH1A1 | |
| SCHEMBL11249511 | 0.75 | — | — | |
| SCHEMBL17758428 | 0.74 | MAPT (0.48) | CES2CES1ALDH1A1MAPTZDHHC7 | |
| SCHEMBL15615685 | 0.73 | EPHX1 (0.47) | CES2NOS3NOS1NOS2CES1 | |
| SCHEMBL6136620 | 0.72 | NOS3 (0.50) | CES2NOS3NOS1NOS2CES1 | |
| SCHEMBL31026389 | 0.71 | EPHX1 (0.50) | CES2CES1MAPTZDHHC7EPHX1 | |
| SCHEMBL17039731 | 0.71 | EPHX1 (0.50) | CES2CES1MAPTZDHHC7EPHX1 | |
| SCHEMBL10923079 | 0.71 | EPHX1 (0.50) | CES2CES1MAPTZDHHC7EPHX1 | |
| SCHEMBL7772506 | 0.71 | NOS3 (0.36) | NOS3NOS1NOS2CES1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6001994-A | Process for making gemcitabine hydrochloride | ELI LILLY AND COMPANY (US) | 1999-12-14 | — | — | US | disclosed |
| US-5912366-A | CHEMICAL INTERMEDIATES FOR GEMCITABINE AN ANTITUMOR AGENT | ELI LILLY AND COMPANY (US) | 1999-06-15 | — | — | US | disclosed |
| US-5756775-A | Process to make α,α-difluoro-β-hydroxyl thiol esters | ELI LILLY AND COMPANY (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1997021719-A1 | α, α-DIFLUORO-β-HYDROXY THIOL ESTERS AND THEIR SYNTHESIS | ELI LILLY AND COMPANY (US) | 1997-06-19 | — | — | WO | disclosed |
| EP-0779275-A2 | Alpha, Alpha - Difluoro-beta -hydroxy thiol esters and their synthesis | ELI LILLY AND COMPANY (US) | 1997-06-18 | — | — | EP | disclosed |