Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743516 | 0.85 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| SCHEMBL7744084 | 0.85 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| SCHEMBL31669038 | 0.85 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| SCHEMBL3319088 | 0.85 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| Hydrochloric Acid SCHEMBL30377815 | 0.84 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| Hydrochloric Acid SCHEMBL8702078 | 0.84 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| Hydrochloric Acid SCHEMBL8121954 | 0.84 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| SCHEMBL1945067 | 0.81 | KDM4E (0.42) | KDM4ECYP1A2CYP2D6CYP2C9MAPK1 | |
| SCHEMBL428189 | 0.80 | MTNR1A (0.53) | KDM4EALDH1A1MAPTMTNR1ASMYD3 | |
| SCHEMBL17647569 | 0.80 | MTNR1A (0.39) | KMT2AMTNR1AMTNR1BSMYD3 |
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-0670310-B1 | Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants | LILLY CO ELI (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5578574-A | THROMBIN INHIBITORS OR ANTICOAGULANTS | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0672665-A1 | Antithrombotic agents | ELI LILLY AND COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| EP-0670310-A1 | Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants | ELI LILLY AND COMPANY (US) | 1995-09-06 | — | — | EP | disclosed |