Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30209741 | 1.00 | KMT2A (0.46) | KMT2AHTTRXFP1CYP1A2CYP2D6 | |
| SCHEMBL6731758 | 0.79 | KMT2A (0.49) | KMT2AHTTRXFP1CYP1A2CYP2D6 | |
| SCHEMBL30209728 | 0.75 | POLB (0.48) | HTTCYP1A2CYP2D6ALDH1A1GAA | |
| SCHEMBL24069136 | 0.75 | POLB (0.48) | HTTCYP1A2CYP2D6ALDH1A1GAA | |
| SCHEMBL30209754 | 0.72 | POLB (0.48) | KMT2AHTTCYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL30209757 | 0.72 | POLB (0.48) | KMT2AHTTCYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL24069085 | 0.72 | POLB (0.48) | KMT2AHTTCYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL104748 | 0.71 | CYP1A2 (0.62) | KMT2AHTTCYP1A2CYP2D6KDM4E | |
| Hydrochloric Acid SCHEMBL6270344 | 0.71 | CYP1A2 (0.43) | KMT2ACYP1A2CYP2D6MEN1ALDH1A1 | |
| SCHEMBL2462966 | 0.70 | CASR (0.51) | HTTCYP1A2CYP2D6KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867535-A | Substituted benzamides as modulators of TREX1 | 星座制药公司 | 2023-03-28 | — | — | CN | disclosed |
| WO-2021243001-A1 | SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2021-12-02 | — | — | WO | disclosed |