Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 11/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21152659 | 0.79 | ALB (0.38) | MAPT | |
| SCHEMBL19983328 | 0.78 | ESRRG (0.44) | HDAC1HDAC6HDAC3CYP3A4 | |
| SCHEMBL25660999 | 0.77 | ALB (0.35) | KDM4EALDH1A1MAPT | |
| SCHEMBL25658966 | 0.75 | TDP1 (0.39) | KDM4EMAPTRAB9A | |
| SCHEMBL19983116 | 0.75 | MEN1 (0.34) | MAPT | |
| SCHEMBL19983300 | 0.74 | KDM4E (0.56) | HDAC1HDAC6HDAC10HDAC8HDAC2 | |
| SCHEMBL19982963 | 0.74 | CYP3A4 (0.49) | CYP3A4KDM4E | |
| SCHEMBL21152665 | 0.73 | ALB (0.39) | — | |
| SCHEMBL17623614 | 0.71 | HDAC1 (0.61) | HDAC1HDAC6HDAC10HDAC8HDAC2 | |
| SCHEMBL19983069 | 0.71 | CYP3A4 (0.46) | CYP3A4 |
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-2018053353-A1 | KETONE INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |