Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.46 |
| ▸ | TUBB | P07437 | 2/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27630437 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL7444751 | 0.84 | CYP1A2 (0.53) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL6958930 | 0.81 | SLC22A6 (0.73) | ALDH1A1CYP1A2CYP2C19HPGDCYP3A4 | |
| SCHEMBL28902774 | 0.80 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL15947114 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL31516304 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL25304403 | 0.78 | ALDH1A1 (0.83) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL1818634 | 0.78 | CYP1A2 (1.00) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL15948918 | 0.78 | ALDH1A1 (0.83) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL31061882 | 0.78 | ALDH1A1 (0.83) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD |
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 |