Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| Butyramide SCHEMBL28251976 | 0.87 | CES1 (0.43) | TDP1FFAR3HDAC3HDAC1HDAC2 | |
| Methacrylic Acid SCHEMBL27494561 | 0.85 | TDP1 (0.48) | TDP1SOAT1KMT2AMEN1FAAH | |
| Butyramide SCHEMBL28028738 | 0.85 | FFAR3 (0.50) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyramide SCHEMBL6760888 | 0.85 | FFAR3 (0.50) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Octadecanoic Acid Amide SCHEMBL8415742 | 0.85 | MEN1 (0.57) | TDP1SOAT1KMT2AMEN1FAAH | |
| Methacrylic Acid SCHEMBL27678632 | 0.85 | MEN1 (0.57) | TDP1SOAT1KMT2AMEN1FAAH | |
| Methacrylic Acid SCHEMBL27726719 | 0.82 | TDP1 (0.50) | TDP1FFAR3TP53CYP1A2CYP3A4 | |
| Butyramide SCHEMBL29130696 | 0.82 | HDAC3 (0.53) | TDP1FFAR3HDAC3HDAC1HDAC2 | |
| Butyramide SCHEMBL17685288 | 0.82 | HDAC3 (0.53) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyramide SCHEMBL29130698 | 0.82 | HDAC3 (0.53) | TDP1FFAR3HDAC3HDAC1HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1169986-A | 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives | CIBA GEIGY AG (CH) | 1998-01-14 | — | — | CN | disclosed |