Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | 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 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL21962395 | 1.00 | SRD5A2 (0.43) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL22019136 | 1.00 | SRD5A2 (0.43) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL21962547 | 0.90 | HDAC3 (0.44) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL22020545 | 0.90 | HDAC3 (0.44) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL22020546 | 0.88 | VNN1 (0.41) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL21962654 | 0.88 | HDAC3 (0.42) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL21962763 | 0.88 | HDAC3 (0.42) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL21962431 | 0.87 | RAF1 (0.42) | SRD5A2MLYCDCES2RAF1BRAF | |
| SCHEMBL21962674 | 0.87 | SCD (0.47) | MLYCDRAF1BRAFHDAC3HDAC4 | |
| SCHEMBL21962779 | 0.86 | MLYCD (0.49) | SRD5A2MLYCDCES2RAF1BRAF |
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 |
|---|---|---|---|---|---|---|---|
| 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 |