Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 SCHEMBL28830570 | 0.97 | CYP2D6 (0.55) | IP6K1CYP2D6CYP2C9HIF1ATDP1 | |
| SCHEMBL2933311 | 0.89 | ALDH1A1 (0.49) | IP6K1TDP1ALDH1A1POLBKDM4E | |
| SCHEMBL4889004 | 0.87 | ALDH1A1 (0.58) | IP6K1TDP1TSHRALDH1A1POLB | |
| SCHEMBL12966210 | 0.83 | CXCR4 (0.58) | IP6K1ALDH1A1POLB | |
| SCHEMBL13393986 | 0.82 | ALDH1A1 (0.47) | TDP1ALDH1A1POLBKDM4EHRH3 | |
| SCHEMBL6595744 | 0.82 | ALDH1A1 (0.58) | TDP1TSHRALDH1A1POLBKDM4E | |
| SCHEMBL7348167 | 0.81 | GRIN2B (0.54) | CYP2D6CYP2C9HIF1AALDH1A1POLB | |
| SCHEMBL20210280 | 0.81 | KDM4E (0.59) | CYP2D6CYP2C9HIF1ATDP1ALDH1A1 | |
| SCHEMBL7452597 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP2C9HIF1ATDP1TSHR | |
| SCHEMBL9456970 | 0.81 | KDM4E (0.55) | IP6K1CYP2D6CYP2C9HIF1ATDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863755-B1 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 2004-12-15 | — | — | EP | disclosed |
| US-6265575-B1 | THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6025382-A | Antithrombotic diamines | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |
| 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 |