Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8167957 | 1.00 | AKR1C3 (0.41) | AKR1C3AKR1C2PTGS2PTGS1KDM4E | |
| SCHEMBL5929446 | 0.83 | NPSR1 (0.38) | KDM4EALDH1A1TDP1PRNPCYP1A2 | |
| SCHEMBL19796214 | 0.80 | SMN1; SMN2 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL1678995 | 0.79 | GRM1 (0.41) | PTGS2PTGS1ALDH1A1TDP1CYP1A2 | |
| SCHEMBL8157598 | 0.79 | GRM1 (0.41) | PTGS2PTGS1ALDH1A1TDP1CYP1A2 | |
| SCHEMBL27692709 | 0.78 | SMN1; SMN2 (0.37) | KDM4EALDH1A1TDP1 | |
| SCHEMBL1679175 | 0.77 | PTGS1 (0.51) | AKR1C3AKR1C2PTGS2PTGS1FPR2 | |
| SCHEMBL8163812 | 0.77 | MAPK1 (0.46) | AKR1C3AKR1C2PTGS2PTGS1KDM4E | |
| SCHEMBL20943279 | 0.77 | MAPK1 (0.46) | AKR1C3AKR1C2PTGS2PTGS1KDM4E | |
| SCHEMBL38661512 | 0.77 | KDM4E (0.46) | PTGS2PTGS1KDM4E |
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-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |