Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL25669481 | 0.85 | CCR1 (0.40) | CCR1CCR2SMN1; SMN2RAB9AKMT2A | |
| SCHEMBL17501946 | 0.82 | GRIN2B (0.42) | POLBALDH1A1MGLLKMT2APTGER2 | |
| SCHEMBL17501944 | 0.82 | GRIN2B (0.42) | POLBALDH1A1MGLLKMT2APTGER2 | |
| SCHEMBL25669144 | 0.82 | PTGER2 (0.36) | POLBALDH1A1HPGDRAB9APTGER2 | |
| SCHEMBL12407036 | 0.77 | HDAC6 (0.42) | PTGER2PTGER3HDAC1HDAC8HDAC6 | |
| SCHEMBL12568637 | 0.76 | SPHK1 (0.52) | MGLLPTGER2PTGER3PTGDRSPHK2 | |
| SCHEMBL12112017 | 0.76 | SPHK1 (0.52) | MGLLPTGER2PTGER3PTGDRSPHK2 | |
| SCHEMBL6787309 | 0.74 | PTGER2 (0.47) | POLBPTGER2PTGER3HDAC1HDAC8 | |
| SCHEMBL4644173 | 0.74 | ALDH1A1 (0.43) | CCR1CCR2SMN1; SMN2POLBALDH1A1 | |
| SCHEMBL16422721 | 0.73 | HDAC1 (0.49) | CYP1A2CYP2C19TDP1PTGER2TSHR |
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-2023109883-A1 | AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |