Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 5/20 | 0.46 |
| ▸ | AKT1 | P31749 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18191672 | 0.88 | HDAC3 (0.55) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL8127646 | 0.83 | HDAC1 (0.53) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL24324611 | 0.82 | HDAC3 (0.52) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL1235983 | 0.82 | HDAC3 (0.52) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL15311357 | 0.82 | HDAC3 (0.52) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL15311486 | 0.81 | HDAC3 (0.51) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL15311485 | 0.81 | HDAC3 (0.51) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL25960257 | 0.80 | HDAC3 (0.55) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL24323598 | 0.80 | BACE1 (0.62) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL29059434 | 0.80 | HDAC3 (0.50) | HDAC3HDAC1HDAC2NCOR2CTSL |
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 |
|---|---|---|---|---|---|---|---|
| CN-118475575-A | Peptidyl nitrile compound and application thereof | 上海壹典医药科技开发有限公司 | 2024-08-09 | — | — | CN | disclosed |
| WO-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |