Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GGT1 | P19440 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TOP1 | P11387 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31482993 | 0.82 | PTGS2 (0.53) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL10607461 | 0.82 | PTGS2 (0.53) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL8886874 | 0.81 | HSD17B10 (0.66) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL7166160 | 0.79 | CXCL8 (0.47) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL29432883 | 0.79 | PTGS2 (0.68) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL338196 | 0.79 | PTGS2 (0.68) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL24260340 | 0.78 | TOP1 (0.50) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL361663 | 0.78 | MAPT (0.59) | PTGS2HSD17B10KDM4EALDH1A1ESR1 | |
| SCHEMBL10500172 | 0.78 | KMT2A (0.58) | HSD17B10ESR1TSHRTOP1LMNA | |
| Iodide SCHEMBL30619798 | 0.77 | PTGS2 (0.65) | PTGS2HSD17B10KDM4EALDH1A1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |