Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 3/20 | 0.40 |
| ▸ | MLYCD | O95822 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962663 | 0.89 | SCD (0.42) | SCDMLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL21962619 | 0.89 | SCD (0.42) | SCDMLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL21962617 | 0.89 | SCD (0.42) | SCDMLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL21962576 | 0.88 | MLYCD (0.40) | MLYCDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22020519 | 0.88 | MLYCD (0.40) | MLYCDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21962578 | 0.88 | ABL1 (0.44) | SCDMLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL21962580 | 0.84 | HDAC3 (0.43) | SCDMLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL22019323 | 0.82 | VNN1 (0.39) | SCDMLYCDBTKIRAK4 | |
| SCHEMBL21962563 | 0.82 | VNN1 (0.39) | SCDMLYCDBTKIRAK4 | |
| SCHEMBL21962761 | 0.81 | SCD (0.39) | SCDMLYCDPTGS1PTGS2ABL1 |
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 |