Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29230415 | 0.86 | NPSR1 (0.35) | NPSR1ALOX15MAPTCYP2C9KMT2A | |
| SCHEMBL131994 | 0.83 | — | — | |
| SCHEMBL14136223 | 0.81 | NOS2 (0.41) | NPSR1ALOX15MAPTCYP2C9KMT2A | |
| Hydrochloric Acid SCHEMBL3890783 | 0.78 | MAPT (0.41) | NPSR1ALOX15MAPTCYP2C9KMT2A | |
| SCHEMBL1767822 | 0.78 | TLR8 (0.38) | NPSR1ALOX15MAPTCYP2C9NOS2 | |
| SCHEMBL12597094 | 0.76 | KCNH2 (0.41) | NPSR1 | |
| SCHEMBL8666663 | 0.76 | ALOX15 (0.38) | NPSR1ALOX15MAPTCYP2C9KMT2A | |
| SCHEMBL1422106 | 0.76 | — | — | |
| SCHEMBL10144619 | 0.75 | NPSR1 (0.38) | NPSR1ALOX15MAPTCYP2C9KMT2A | |
| SCHEMBL27634918 | 0.75 | KCNH2 (0.44) | ALDH1A1LMNATP53 |
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-115385862-B | Pyrimidine thioether compound containing sulfonate structure and preparation method and application thereof | 贵州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-115385862-A | Pyrimidine thioether compound containing sulfonate structure as well as preparation method and application thereof | 贵州大学 | 2022-11-25 | — | — | CN | disclosed |