Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5331619 | 1.00 | PTGS2 (0.34) | PTGS2THRBHTTCYP2C9MAPT | |
| SCHEMBL5324999 | 0.89 | PTGS2 (0.35) | PTGS2THRBHTTCYP2C9SMN1; SMN2 | |
| SCHEMBL5325002 | 0.89 | PTGS2 (0.35) | PTGS2THRBHTTCYP2C9SMN1; SMN2 | |
| SCHEMBL5326545 | 0.85 | PTGS2 (0.39) | PTGS2THRBHTTCYP2C9MAPT | |
| SCHEMBL5297375 | 0.83 | MEN1 (0.42) | PTGS2HTTCYP2C9MAPTALDH1A1 | |
| SCHEMBL14622895 | 0.82 | PTGS2 (0.41) | PTGS2MAPTALDH1A1KDM4EPSMD14 | |
| SCHEMBL5288972 | 0.82 | MEN1 (0.40) | PTGS2THRBHTTCYP2C9MAPT | |
| SCHEMBL5331474 | 0.82 | PTGS2 (0.38) | PTGS2THRBHTTCYP2C9MAPT | |
| SCHEMBL5327308 | 0.82 | HTT (0.37) | PTGS2THRBHTTCYP2C9MAPT | |
| SCHEMBL5327304 | 0.82 | PTGS2 (0.35) | PTGS2THRBHTTCYP2C9MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007007161-A2 | NOVEL BIO-ACTIVE DERIVATIVES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-01-18 | — | — | WO | claimed |
| WO-2007007161-A2 | NOVEL BIO-ACTIVE DERIVATIVES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-01-18 | — | — | WO | disclosed |