Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 18/20 | 0.80 |
| ▸ | F2 | P00734 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | PLD2 | O14939 | 1/20 | 0.66 |
| ▸ | KDM1A | O60341 | 1/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | USP2 | O75604 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | C5 | P01031 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | FYN | P06241 | 1/20 | 0.66 |
| ▸ | PGR | P06401 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL6595547 | 0.92 | ESR1 (0.92) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL6597972 | 0.92 | ESR1 (0.94) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL6595743 | 0.92 | ESR1 (0.94) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL6595123 | 0.91 | ESR1 (0.77) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL6594247 | 0.90 | ESR1 (0.76) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL7409821 | 0.90 | ESR1 (0.98) | ESR1ESR2F2CNR1ENPP1 | |
| SCHEMBL4651940 | 0.90 | ESR1 (0.98) | ESR1ESR2F2CNR1ENPP1 | |
| SCHEMBL7775840 | 0.90 | ESR1 (0.87) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL7451884 | 0.90 | ESR1 (0.87) | ESR1ESR2F2MEN1PLD2 | |
| SCHEMBL11546929 | 0.90 | ESR1 (0.90) | ESR1ESR2F2MEN1PLD2 |
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 4 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 |