Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 3/20 | 0.46 |
| ▸ | IDH2 | P48735 | 4/20 | 0.46 |
| ▸ | RAF1 | P04049 | 3/20 | 0.45 |
| ▸ | BRAF | P15056 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | VNN1 | O95497 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962552 | 0.94 | IDH2 (0.48) | SCDIDH2RAF1BRAFKDM4E | |
| SCHEMBL21962674 | 0.94 | SCD (0.47) | SCDIDH2RAF1BRAFKDM4E | |
| SCHEMBL21962542 | 0.88 | RAF1 (0.48) | SCDRAF1BRAFKDM4EALDH1A1 | |
| SCHEMBL21962578 | 0.87 | ABL1 (0.44) | SCDRAF1BRAFLCKJAK3 | |
| SCHEMBL21962579 | 0.87 | SRD5A2 (0.43) | RAF1BRAFKDM4EALDH1A1CYP2C9 | |
| SCHEMBL21962395 | 0.87 | SRD5A2 (0.43) | RAF1BRAFKDM4EALDH1A1CYP2C9 | |
| SCHEMBL22019136 | 0.87 | SRD5A2 (0.43) | RAF1BRAFKDM4EALDH1A1CYP2C9 | |
| SCHEMBL21962458 | 0.86 | SCD (0.46) | SCDRAF1BRAFKDM4EALDH1A1 | |
| SCHEMBL21962547 | 0.86 | HDAC3 (0.44) | SCDRAF1BRAFKDM4EALDH1A1 | |
| SCHEMBL22020545 | 0.86 | HDAC3 (0.44) | SCDRAF1BRAFKDM4EALDH1A1 |
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-2020102575-A1 | HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF | INCEPTION IBD, INC. (US) | 2020-05-22 | — | — | WO | claimed |
| WO-2020102575-A1 | HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF | INCEPTION IBD, INC. (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102575-A1 | HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF | INCEPTION IBD, INC. (US) | 2020-05-22 | — | — | WO | disclosed |