Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7439516 | 0.86 | SIGMAR1 (0.51) | HRH3CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL30118939 | 0.83 | NCF1 (0.66) | HRH3CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL1928790 | 0.83 | NCF1 (0.66) | HRH3CYP2D6CYP2C19CYP3A4CYP2C9 | |
| 4-(Biphenyl-4-Ylmethyl)Morpholine SCHEMBL1691308 | 0.82 | HRH3 (0.85) | HRH3HDAC1CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL13376445 | 0.82 | HRH3 (0.68) | HRH3HDAC1CYP2D6CYP2C19NPC1 | |
| SCHEMBL21228249 | 0.81 | PIK3CA (0.51) | HRH3CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL3719689 | 0.81 | NCF1 (0.73) | HRH3HDAC1CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL31554953 | 0.81 | HRH3 (0.60) | HRH3HDAC1CYP2D6CYP2C9NPC1 | |
| SCHEMBL3719688 | 0.80 | HRH3 (0.59) | HRH3HDAC1NPC1RAB9AATM | |
| SCHEMBL26378175 | 0.79 | HRH3 (0.62) | HRH3HDAC1CYP2D6CYP2C19NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019149205-A1 | BENZOHETEROARYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2019-08-08 | — | — | WO | 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 |