Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL455771 | 0.84 | EPHX1 (0.53) | CYP2C9PTGS2CA12CA1CA2 | |
| SCHEMBL18997714 | 0.81 | CYP2C9 (0.36) | CYP2C9PTGS2CA12CA1CA2 | |
| SCHEMBL27514070 | 0.79 | GSK3B (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27538543 | 0.77 | PTGS1 (0.40) | CYP2C9PTGS2CA12CA1CA2 | |
| SCHEMBL461182 | 0.77 | CYP2C9 (0.43) | CYP2C9TSHR | |
| SCHEMBL16070587 | 0.76 | NOS3 (0.41) | CYP2C9CA12CA1CA2CA4 | |
| SCHEMBL16070644 | 0.76 | NOS3 (0.41) | CYP2C9CA12CA1CA2CA4 | |
| SCHEMBL30846910 | 0.76 | NOS3 (0.41) | CYP2C9CA12CA1CA2CA4 | |
| SCHEMBL27512331 | 0.75 | CYP2C9 (0.48) | CYP2C9PTGS2PTGS1LMNAAKR1C3 | |
| SCHEMBL624888 | 0.75 | PYCR1 (0.42) | CYP2C9CA12CA1CA2CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1946670-A | Method for producing 1, 3-enynes using copper catalysts | UNIV MASSACHUSETTS (US) | 2007-04-11 | — | — | CN | disclosed |
| CN-1136198-C | Novel benzyl pyrimidines | ��������ҩ�ɷ�����˾ | 2004-01-28 | — | — | CN | disclosed |
| CN-1166831-A | Novel benzyl pyrimidines | HOFFMANN LA ROCHE (CH) | 1997-12-03 | — | — | CN | disclosed |