Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MYLK | Q15746 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16026638 | 0.82 | MAPT (0.59) | CXCR2METCNR1LMNAATM | |
| SCHEMBL29043228 | 0.80 | NR1H4 (0.51) | CXCR2ALDH1A1METCNR1LMNA | |
| SCHEMBL28919039 | 0.76 | CNR1 (0.53) | ALDH1A1CNR1LMNAATMNR1H4 | |
| SCHEMBL28919065 | 0.76 | POLB (0.61) | METCNR1LMNAATMMEN1 | |
| SCHEMBL29098532 | 0.75 | ALDH1A1 (0.72) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL28919079 | 0.74 | CNR1 (0.51) | ALDH1A1CNR1LMNAATMMAPK1 | |
| SCHEMBL28919066 | 0.74 | CNR1 (0.57) | ALDH1A1CNR1LMNAATMMAPK1 | |
| 4-Methylbenzoic Acid SCHEMBL7098695 | 0.73 | ALDH1A1 (0.59) | ALDH1A1LMNAMEN1TP53CYP2D6 | |
| 4-Methylbenzoic Acid SCHEMBL27775567 | 0.72 | ALDH1A1 (0.57) | ALDH1A1MEN1CYP2D6KMT2ASMN1; SMN2 | |
| 4-Methylbenzoic Acid SCHEMBL27796615 | 0.72 | ALDH1A1 (0.57) | ALDH1A1MEN1CYP2D6KMT2ASMN1; SMN2 |
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 |