Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MPI | P34949 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6596688 | 0.85 | CYP2A13 (0.54) | ALDH1A1MAPTKMT2ALMNAMPI | |
| SCHEMBL4909115 | 0.78 | CYP2A13 (0.55) | ALDH1A1MAPTKMT2ALMNAMPI | |
| SCHEMBL64409 | 0.77 | THRA (0.54) | ALDH1A1MAPTKMT2ALMNAMPI | |
| SCHEMBL28919827 | 0.76 | KDM5A (0.42) | ALDH1A1MAPTKMT2ALMNAMPI | |
| SCHEMBL6043506 | 0.74 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2ALMNATSHR | |
| SCHEMBL28919078 | 0.74 | MEN1 (0.43) | MAPTKMT2APOLB | |
| SCHEMBL28919080 | 0.74 | PKM (0.48) | ALDH1A1KMT2APOLB | |
| SCHEMBL14304804 | 0.73 | CD274 (0.54) | ALDH1A1MAPTKMT2APOLBHTT | |
| SCHEMBL6228351 | 0.73 | CYP2A13 (0.70) | ALDH1A1SMN1; SMN2KDM4EPOLBL3MBTL1 | |
| Hydrochloric Acid SCHEMBL4278278 | 0.73 | CYP2A13 (0.52) | ALDH1A1MAPTKMT2ALMNAMPI |
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 |