Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 8/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962693 | 1.00 | DRD2 (0.43) | DRD2DRD3MLYCDHDAC3HDAC4 | |
| SCHEMBL21962524 | 0.95 | MLYCD (0.43) | DRD2MLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL22019318 | 0.95 | MLYCD (0.43) | DRD2MLYCDHDAC3HDAC4HDAC1 | |
| SCHEMBL21962520 | 0.87 | RAF1 (0.41) | MLYCDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22019593 | 0.87 | RAF1 (0.41) | MLYCDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22019146 | 0.86 | VNN1 (0.42) | DRD2DRD3MLYCD | |
| SCHEMBL21962694 | 0.86 | VNN1 (0.42) | DRD2DRD3MLYCD | |
| SCHEMBL21962442 | 0.85 | MLYCD (0.39) | MLYCDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21962778 | 0.85 | MLYCD (0.48) | MLYCDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21962816 | 0.84 | MLYCD (0.48) | MLYCDHDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102575-A1 | HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF | INCEPTION IBD, INC. (US) | 2020-05-22 | — | — | WO | disclosed |