Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | 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 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31621156 | 0.84 | HTT (0.61) | DYRK1ADYRK1BHSD17B1HSD17B2HTT | |
| SCHEMBL1758239 | 0.84 | HTT (0.61) | DYRK1ADYRK1BHSD17B1HSD17B2HTT | |
| SCHEMBL6961496 | 0.82 | KMT2A (0.47) | HTTSMN1; SMN2CES2CES1LCK | |
| SCHEMBL11053174 | 0.82 | HTT (0.64) | DYRK1ADYRK1BHSD17B1HSD17B2HTT | |
| SCHEMBL31574429 | 0.80 | HTT (0.57) | DYRK1ADYRK1BHSD17B1HSD17B2HTT | |
| SCHEMBL7444751 | 0.80 | CYP1A2 (0.53) | HTTCES2CES1SLC22A6SLC22A8 | |
| SCHEMBL6958930 | 0.80 | SLC22A6 (0.73) | HSD17B2HTTSLC22A6SLC22A8POLB | |
| SCHEMBL6961510 | 0.78 | KDM4E (0.43) | HTTSMN1; SMN2CES2CES1LCK | |
| SCHEMBL2166098 | 0.78 | CES2 (0.71) | HTTCES2CES1LCKFYN | |
| SCHEMBL1758781 | 0.77 | HTT (0.75) | DYRK1ADYRK1BHSD17B1HSD17B2HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | WO | disclosed |