Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.50 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.50 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.50 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.50 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.50 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24254525 | 0.81 | CYP3A4 (0.50) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL26188253 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL24254492 | 0.73 | NPC1 (0.61) | MAPTALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL24254524 | 0.72 | CYP3A4 (0.61) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL7129269 | 0.69 | CYP3A4 (0.59) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL9262065 | 0.66 | PSEN1 (0.69) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL21246574 | 0.66 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2AHTTNAMPT | |
| SCHEMBL4880963 | 0.66 | CYP3A4 (0.64) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL26188514 | 0.66 | CYP3A4 (0.45) | CYP3A4CYP2D6PSEN1PSEN2APH1B | |
| SCHEMBL7129864 | 0.65 | CYP3A4 (0.66) | CYP3A4CYP2D6PSEN1PSEN2APH1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022035804-A1 | SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-02-17 | — | — | WO | disclosed |