Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL24019666 | 0.86 | RIPK1 (0.45) | MAOBMAOARIPK1HCAR2PKM | |
| SCHEMBL24740446 | 0.86 | PNMT (0.43) | MAOBMAOARIPK1HCAR2PKM | |
| SCHEMBL24112749 | 0.85 | MAPT (0.43) | MAOBMAOARIPK1HCAR2PKM | |
| SCHEMBL17106156 | 0.84 | MAOB (0.43) | MAOBALDH1A1CTBP2MMP2MMP9 | |
| SCHEMBL24019747 | 0.81 | CTSL (0.47) | RIPK1HTTALDH1A1TSHRHPGD | |
| SCHEMBL17599139 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4 | |
| SCHEMBL10235725 | 0.80 | PPARA (0.46) | ALDH1A1 | |
| SCHEMBL25759190 | 0.79 | PNMT (0.42) | RIPK1HCAR2ALDH1A1TSHRHPGD | |
| SCHEMBL611257 | 0.78 | PPARA (0.39) | ALDH1A1 | |
| SCHEMBL2659547 | 0.78 | ALDH1A1 (0.61) | MAOBMAOAHCAR2HTTALDH1A1 |
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 |