Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 3/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25758757 | 0.85 | CCR2 (0.45) | SLC6A4SLC6A3SLC6A2CCR2HDAC3 | |
| SCHEMBL27853655 | 0.81 | OPRM1 (0.41) | ALDH1A1KCNA3MEN1KMT2A | |
| SCHEMBL28649793 | 0.80 | PARP1 (0.43) | SLC6A4SLC6A3SLC6A2CCR2HDAC3 | |
| SCHEMBL24112742 | 0.76 | SLC6A4 (0.50) | SLC6A4SLC6A3SLC6A2CCR2HDAC3 | |
| SCHEMBL28951380 | 0.75 | SLC6A4 (0.39) | SLC6A4SLC6A3CCR2HDAC3HDAC1 | |
| SCHEMBL25759192 | 0.73 | SLC6A4 (0.41) | SLC6A4SLC6A3SLC6A2CCR2HDAC3 | |
| SCHEMBL28951684 | 0.73 | CTSS (0.42) | SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL23878152 | 0.72 | HDAC3 (0.34) | HDAC3HDAC1HDAC2HDAC6HCAR3 | |
| SCHEMBL16908880 | 0.72 | FPR2 (0.40) | HDAC1HPGDALDH1A1MEN1LMNA | |
| SCHEMBL25460863 | 0.72 | HDAC4 (0.55) | SLC6A4SLC6A3SLC6A2CCR2HDAC3 |
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-2021252644-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-12-16 | — | — | WO | disclosed |