Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 8/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5874331 | 0.86 | KMT2A (0.41) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Oxalic Acid SCHEMBL5179301 | 0.84 | ALDH1A1 (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Acetic Acid SCHEMBL1047016 | 0.84 | HPGD (0.40) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Oxalic Acid SCHEMBL153610 | 0.84 | ALDH1A1 (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Trifluoroacetic Acid SCHEMBL5874682 | 0.83 | KDM4E (0.41) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Trichloroacetic Acid SCHEMBL5874544 | 0.83 | KMT2A (0.39) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Tert-Butylamine SCHEMBL8401139 | 0.82 | MAPT (0.54) | KCNN4CYP1A2CYP2D6MAPTKMT2A | |
| Iodide SCHEMBL1502892 | 0.82 | TSHR (0.43) | CYP1A2 | |
| Methyl Alcohol SCHEMBL6949733 | 0.80 | GABRA1 (0.45) | KMT2A | |
| SCHEMBL29581427 | 0.80 | TSHR (0.45) | CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4632785-A | CARBOXYLIC ACID AMINE SALT; STORAGE STABILITY OF ISOCYANATE PREMIXES | THE DOW CHEMICAL COMPANY (US) | 1986-12-30 | — | — | US | disclosed |
| US-4540781-A | Product and process trimerization of organic isocyanates | THE UPJOHN COMPANY (US) | 1985-09-10 | — | — | US | disclosed |