Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7642595 | 0.78 | CYP2A6 (0.46) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL14578273 | 0.75 | MTNR1A (0.45) | CYP2A6KDM1AKMT2A | |
| SCHEMBL4454971 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ETSHRKMT2AKCNA3 | |
| SCHEMBL1359577 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10HPGDKMT2A | |
| SCHEMBL7388640 | 0.74 | CYP2A6 (0.42) | CYP2A6KDM1A | |
| SCHEMBL28703911 | 0.73 | CSNK1D (0.41) | CYP2A6ALDH1A1KDM1A | |
| SCHEMBL14155120 | 0.73 | MTNR1A (0.43) | CYP2A6HSD17B10TSHRKDM1AKMT2A | |
| SCHEMBL28568201 | 0.73 | CYP2A6 (0.41) | CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL10764119 | 0.73 | POLB (0.49) | CYP2A6ALDH1A1KDM4EKDM1APOLB | |
| SCHEMBL18493268 | 0.72 | ALDH1A1 (0.33) | CYP2A6ALDH1A1KDM4EHSD17B10TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056743-A1 | BENZAMINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-12-06 | — | — | EP | disclosed |
| US-5962695-A | ANTICOAGULANT | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-10-05 | — | — | US | disclosed |
| WO-1999031092-A1 | BENZAMINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |
| US-5866577-A | AN ANTICOAGULANT AGENT | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-02-02 | — | — | US | disclosed |
| US-5620991-A | ANTICOAGULANTS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-15 | — | — | US | disclosed |
| US-5576343-A | ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1996-11-19 | — | — | US | disclosed |
| EP-0540051-B1 | Aromatic amidine derivatives and salts thereof | DAIICHI SEIYAKU CO (JP) | 1996-04-03 | — | — | EP | disclosed |
| EP-0540051-A1 | Aromatic amidine derivatives and salts thereof | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1993-05-05 | — | — | EP | disclosed |