Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11509016 | 0.86 | PDPK1 (0.32) | TSHRTDP1NAPRTPDPK1HSD17B10 | |
| SCHEMBL23753 | 0.85 | — | — | |
| SCHEMBL17977839 | 0.83 | — | — | |
| SCHEMBL5375407 | 0.83 | — | — | |
| SCHEMBL30753571 | 0.83 | — | — | |
| SCHEMBL8088092 | 0.83 | — | — | |
| SCHEMBL10533757 | 0.83 | ALDH1A1 (0.46) | TSHRPDPK1CYP2A6HSD17B10ALDH1A1 | |
| Chlorobenzene SCHEMBL27490190 | 0.77 | TSHR (0.44) | TSHRTDP1PDPK1HSD17B10ALDH1A1 | |
| Pyridine SCHEMBL28371237 | 0.76 | PDPK1 (0.58) | TSHRTDP1NAPRTPDPK1CYP2A6 | |
| Acetic Acid SCHEMBL1219077 | 0.76 | ALDH1A1 (0.52) | TSHRHSD17B10ALDH1A1NOS1LMNA |
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-101153044-B | Wide-spectrum antibiotic cephalosporin alkene compounds containing sulfhydryl thiazole pyridine onium methyl | INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2011-12-07 | — | — | CN | disclosed |
| CN-101153044-A | Wide-spectrum antibiotic cephalosporin alkene compounds containing sulfhydryl thiazole pyridine onium methyl | INST MATERIA MEDICA CAMS (CN) | 2008-04-02 | — | — | CN | disclosed |