Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL307136 | 0.91 | MLYCD (0.42) | TSHRCYP1A2PKMCYP2C19POLB | |
| SCHEMBL12593780 | 0.86 | MEN1 (0.42) | TSHRPKMPOLBSLC6A3MLYCD | |
| SCHEMBL308205 | 0.86 | POLB (0.59) | TSHRPOLBP2RX7 | |
| SCHEMBL305437 | 0.85 | P2RX7 (0.40) | PKMPOLBSLC6A3TAS1R3TAS1R1 | |
| SCHEMBL15761206 | 0.85 | UTS2R (0.43) | TSHRCYP1A2PKMCYP2C19POLB | |
| SCHEMBL1585165 | 0.85 | CYP11B1 (0.48) | PKMSLC6A3SLC6A2SLC6A4MLYCD | |
| SCHEMBL3688705 | 0.85 | CYP11B1 (0.48) | TSHRPKMPOLBSLC6A3SLC6A2 | |
| SCHEMBL13694021 | 0.83 | TSHR (0.42) | TSHRCYP1A2PKMPOLBSLC6A3 | |
| SCHEMBL8577021 | 0.83 | POLB (0.41) | TSHRPKMPOLBSLC6A3 | |
| SCHEMBL18436192 | 0.83 | POLB (0.41) | TSHRPKMPOLBSLC6A3MLYCD |
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 4 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 |
| EP-1773330-A4 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2009-01-21 | — | — | EP | disclosed |
| EP-1773330-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006014618-A2 | SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |