Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GPR39 | O43194 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29047115 | 1.00 | KDM4E (0.47) | KDM4EALDH1A1NPC1USP2GLA | |
| SCHEMBL29664306 | 0.81 | CYP1A2 (0.36) | USP2RAB9AGPR39KCNH2MCHR1 | |
| SCHEMBL29047123 | 0.81 | CYP1A2 (0.36) | USP2RAB9AGPR39KCNH2MCHR1 | |
| SCHEMBL20164026 | 0.71 | ADORA3 (0.43) | ALDH1A1USP2ADORA3KMT2A | |
| SCHEMBL29047116 | 0.69 | TLR8 (0.41) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL29664130 | 0.68 | GAA (0.39) | ALDH1A1NPC1GAAMAPTLMNA | |
| SCHEMBL20509552 | 0.68 | ELANE (0.58) | KDM4EALDH1A1NPC1USP2GLA | |
| SCHEMBL27041281 | 0.68 | ELANE (0.58) | KDM4EALDH1A1NPC1USP2GLA | |
| SCHEMBL11546086 | 0.67 | KDM4E (1.00) | KDM4EALDH1A1NPC1USP2GLA | |
| SCHEMBL25386120 | 0.65 | KDM4E (0.57) | KDM4EALDH1A1NPC1USP2GLA |
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-2022121813-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 北京泰德制药股份有限公司 | 2022-06-16 | — | — | WO | disclosed |