Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9911434 | 0.83 | HPGD (0.58) | CYP1A2CYP2C19HDAC3HDAC4HDAC1 | |
| SCHEMBL3469024 | 0.81 | CYP3A4 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL12459476 | 0.79 | NPC1 (0.62) | NPC1RAB9AKMT2ATP53L3MBTL1 | |
| SCHEMBL11202781 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL8171777 | 0.78 | NAMPT (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL9223090 | 0.78 | CYP3A4 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL3342586 | 0.78 | L3MBTL1 (0.80) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 | |
| SCHEMBL14133123 | 0.78 | EPHX1 (0.55) | HDAC1HDAC8HDAC6MAPTL3MBTL1 | |
| SCHEMBL1259422 | 0.77 | HDAC3 (0.63) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11420601 | 0.77 | MAPT (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996015667-A2 | ANTIDOTE COMPOSITION AND METHOD FOR USE OF THE COMPOSITION | Nitrokémia Rt. (HU) | 1996-05-30 | — | — | WO | disclosed |
| CN-87102879-A | Benzhydryl compounds as herbicide antidotes | — | 1987-10-28 | — | — | CN | disclosed |
| EP-0064353-A1 | Use of 2,4-disubstituted-5-thiazolecarboxylic acids and derivatives for reducing injury to crop plants by acetamide herbicides | MONSANTO COMPANY (US) | 1982-11-10 | — | — | EP | disclosed |