Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24648546 | 0.80 | POLB (0.52) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL24648543 | 0.80 | ALDH1A1 (0.53) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7444751 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7447786 | 0.78 | ALDH1A1 (0.73) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL24648542 | 0.77 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL6343700 | 0.77 | ALDH1A1 (0.65) | ALDH1A1HTTL3MBTL1POLBGAA | |
| SCHEMBL3547262 | 0.77 | CA12 (0.61) | TSHRALDH1A1LMNAHTTMEN1 | |
| SCHEMBL11575413 | 0.76 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL6958930 | 0.76 | SLC22A6 (0.73) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL20058880 | 0.76 | MAPK1 (0.60) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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 |