Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9863157 | 1.00 | HDAC6 (0.39) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9862950 | 0.90 | NPC1 (0.36) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9668441 | 0.90 | NPC1 (0.36) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9863211 | 0.89 | ALDH1A1 (0.39) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9863006 | 0.89 | ALDH1A1 (0.39) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9668318 | 0.84 | KCNH2 (0.50) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9666409 | 0.84 | KCNH2 (0.50) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9705718 | 0.84 | KCNH2 (0.50) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| Disoxaril SCHEMBL147146 | 0.84 | KCNH2 (0.50) | HDAC6KCNH2HRH3CYP1A2CYP19A1 | |
| SCHEMBL9862965 | 0.84 | MEN1 (0.34) | NPC1RAB9AMEN1KMT2ANR1I2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5002960-A | Viricides for combating picornaviruses | STERLING DRUG, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4939267-A | Viricides | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |
| US-4843087-A | OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES | STERLING DRUG INC. (US) | 1989-06-27 | — | — | US | disclosed |