Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.51 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MYLK | Q15746 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL29043235 | 0.80 | CXCR2 (0.48) | NR1H4CXCR2KMT2ACNR1ATM | |
| SCHEMBL16026638 | 0.79 | MAPT (0.59) | CXCR2KMT2APOLBCNR1ATM | |
| SCHEMBL28919157 | 0.73 | POLB (0.58) | NR1H4KMT2APOLBCNR1TDP1 | |
| SCHEMBL29043226 | 0.71 | KMT2A (0.56) | NR1H4KMT2APOLBCNR1TDP1 | |
| Pivalate SCHEMBL28919013 | 0.69 | CNR1 (0.60) | NR1H4CXCR2KMT2APOLBCNR1 | |
| SCHEMBL143244 | 0.68 | — | — | |
| SCHEMBL1888135 | 0.68 | NR1H4 (1.00) | NR1H4KMT2APOLBCNR1MAPK1 | |
| SCHEMBL28919079 | 0.67 | CNR1 (0.51) | KMT2APOLBCNR1ATMMAPK1 | |
| SCHEMBL28919066 | 0.67 | CNR1 (0.57) | KMT2APOLBCNR1ATMMAPK1 | |
| Hydrochloric Acid SCHEMBL3047201 | 0.67 | KLK7 (0.53) | KMT2APOLBTDP1MEN1CHRNB2 |
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-115521272-B | Benzenesulfonyl piperazine compound and medical application thereof | 河北省人民医院 | 2023-07-21 | — | — | CN | disclosed |