Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | F13A1 | P00488 | 1/20 | 0.48 |
| ▸ | TGM2 | P21980 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL24824555 | 0.88 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL10297355 | 0.83 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL14397178 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL375302 | 0.81 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL29254531 | 0.80 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL7398367 | 0.80 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4760522 | 0.80 | SMN1; SMN2 (0.74) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL3898493 | 0.80 | SMN1; SMN2 (0.78) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL14992459 | 0.80 | SMN1; SMN2 (0.78) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL2444559 | 0.80 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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-2021135938-A1 | HETEROCYCLIC SULFOXIMINE COMPOUND AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 南京创济生物医药有限公司 | 2021-07-08 | — | — | WO | disclosed |