Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.47 |
| ▸ | TUBB | P07437 | 4/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11577171 | 0.85 | CYP1A2 (0.70) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL7447786 | 0.84 | ALDH1A1 (0.73) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL6958930 | 0.82 | SLC22A6 (0.73) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL6961510 | 0.81 | KDM4E (0.43) | TSHRALDH1A1LMNAHTTGAA | |
| SCHEMBL9914237 | 0.80 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL7444093 | 0.80 | DYRK1A (0.47) | LMNAHTTSLC22A6SLC22A8CES2 | |
| SCHEMBL7447016 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL11805654 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL6961496 | 0.78 | KMT2A (0.47) | CYP1A2CYP2C19ALDH1A1LMNAHTT | |
| SCHEMBL7603587 | 0.78 | HTT (0.66) | CYP1A2CYP2C19CYP3A4CYP2C9TSHR |
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 |