Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | SCN1A | P35498 | 3/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL20563863 | 0.87 | P2RX7 (0.41) | GAAALDH1A1HTTEGFRCES2 | |
| SCHEMBL20564089 | 0.84 | ITGB3 (0.40) | CYP3A4TSHRKDM4ENPSR1GAA | |
| SCHEMBL3793995 | 0.82 | ALDH1A1 (0.44) | CYP2C19SCN1ASCN2ASCN3ALMNA | |
| SCHEMBL20564455 | 0.81 | HDAC3 (0.41) | TSHRNPSR1ALDH1A1SMN1; SMN2CTNNB1 | |
| SCHEMBL20563197 | 0.80 | HDAC3 (0.41) | TSHRNPSR1ALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL2220775 | 0.80 | CYP2C19 (0.44) | CYP2C19LMNACYP1A2CYP2D6TSHR | |
| SCHEMBL20564689 | 0.79 | HDAC3 (0.44) | LMNATSHRNFKB1NPSR1PMP22 | |
| SCHEMBL20564412 | 0.79 | HDAC3 (0.44) | LMNATSHRNFKB1NPSR1PMP22 | |
| SCHEMBL28762464 | 0.78 | ACP3 (0.43) | CYP2C19SCN1ASCN2ASCN3ALMNA | |
| SCHEMBL1614867 | 0.77 | CYP2C19 (0.54) | CYP2C19SCN1ASCN2ASCN3ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574208-B | Substituted fused tricyclic derivatives, compositions and uses thereof | 深圳市塔吉瑞生物医药有限公司 | 2022-09-13 | — | — | CN | disclosed |