Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 2/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30327242 | 0.89 | SMN1; SMN2 (0.45) | NAMPTSMN1; SMN2CYP1A2TDP1CYP2C19 | |
| SCHEMBL15750499 | 0.86 | CYP3A4 (0.40) | NAMPTSMN1; SMN2HDAC1HDAC2CYP1A2 | |
| SCHEMBL29975368 | 0.83 | NAMPT (0.41) | NAMPTHDAC1HDAC2CNR2CYP3A4 | |
| SCHEMBL29626816 | 0.82 | NAMPT (0.40) | NAMPTHDAC1HDAC2CNR2VNN1 | |
| SCHEMBL13010322 | 0.82 | SMN1; SMN2 (0.47) | SMN1; SMN2HDAC1HDAC2CYP1A2TDP1 | |
| SCHEMBL25629294 | 0.81 | NAMPT (0.38) | NAMPTHDAC1HDAC2CNR2VNN1 | |
| SCHEMBL29619703 | 0.79 | NAMPT (0.44) | NAMPTHDAC1HDAC2CNR2VNN1 | |
| SCHEMBL2960736 | 0.77 | USP2 (0.47) | NAMPTSMN1; SMN2EPHX2MEN1KMT2A | |
| SCHEMBL18478531 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP1A2TDP1CYP2C19ALDH1A1 | |
| SCHEMBL18478131 | 0.75 | SMN1; SMN2 (0.43) | SMN1; SMN2HDAC1HDAC2CYP1A2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023098825-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 勤浩医药（苏州）有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023023631-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-02-23 | — | — | WO | disclosed |