Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8092640 | 0.76 | KCNN4 (0.43) | KCNN4KMT2ASRCALDH1A1MEN1 | |
| SCHEMBL618735 | 0.75 | KMT2A (0.44) | KCNN4KMT2AHTTCYP1A2CYP2D6 | |
| SCHEMBL12504592 | 0.72 | KCNN4 (0.40) | KCNN4KMT2AHTTCYP1A2CYP2D6 | |
| SCHEMBL18095170 | 0.71 | SRC (0.46) | KCNN4KMT2AHTTSRCTSHR | |
| SCHEMBL12504228 | 0.71 | KCNN4 (0.39) | KCNN4KMT2ACYP1A2CYP2D6CNR1 | |
| SCHEMBL7573351 | 0.70 | KCNN4 (0.58) | KCNN4KMT2ASRCTSHRALDH1A1 | |
| SCHEMBL7573352 | 0.70 | KCNN4 (0.58) | KCNN4KMT2ASRCTSHRALDH1A1 | |
| SCHEMBL703112 | 0.70 | MAPK1 (0.35) | KCNN4CYP1A2CYP2D6ALDH1A1LMNA | |
| SCHEMBL12504321 | 0.69 | L3MBTL1 (0.40) | KMT2AHTTSRCCYP2D6ALDH1A1 | |
| SCHEMBL27908609 | 0.69 | KCNN4 (0.56) | KCNN4KMT2ASRCCYP1A2CYP2D6 |
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-114057739-A | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-109641896-B | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2021-09-21 | — | — | CN | disclosed |