Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20668700 | 0.86 | MRGPRX4 (0.40) | IDO1ALDH1A1NPC1SCN9AMEN1 | |
| SCHEMBL19409625 | 0.86 | RAB9A (0.40) | IDO1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12855707 | 0.85 | IDO1 (0.46) | IDO1ALDH1A1TSHRNPC1CYP2D6 | |
| SCHEMBL2523918 | 0.84 | MAOB (0.41) | IDO1ALDH1A1TSHRSCN9ASLC6A2 | |
| SCHEMBL5958226 | 0.84 | PROKR1 (0.39) | IDO1SCN9A | |
| SCHEMBL2033908 | 0.84 | IDO1 (0.37) | IDO1ALDH1A1TSHRSCN9ASLC6A2 | |
| SCHEMBL1431818 | 0.82 | PNMT (0.47) | IDO1ALDH1A1TSHRCYP2D6CYP2C19 | |
| SCHEMBL24215139 | 0.80 | FFAR1 (0.34) | IDO1ALDH1A1SCN9AKMT2A | |
| SCHEMBL19409631 | 0.80 | IDO1 (0.45) | IDO1SCN9AMAOBKMT2A | |
| SCHEMBL20300564 | 0.80 | MRGPRX4 (0.42) | CYP2D6 |
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-111212830-B | N- (substituted sulfonyl) benzamide derivative and preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2023-07-04 | — | — | CN | disclosed |
| WO-2019062848-A1 | N-(SUBSTITUTED SULFONYL)BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 浙江海正药业股份有限公司 | 2019-04-04 | — | — | WO | disclosed |