Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 7/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4592585 | 0.83 | CYP1A2 (0.49) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL11442064 | 0.83 | CYP1A2 (0.49) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL353005 | 0.81 | ALDH1A1 (0.40) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL11524479 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL5530875 | 0.75 | PTGS1 (0.36) | CYP1A2CYP3A4PTGS2TSHRPTGS1 | |
| SCHEMBL24591296 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL11524516 | 0.70 | CES2 (0.37) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL166075 | 0.70 | — | — | |
| SCHEMBL16369360 | 0.70 | PTGS1 (0.60) | CYP1A2CYP3A4PTGS2TSHRPTGS1 | |
| SCHEMBL15026378 | 0.69 | PRKCA (0.33) | ALDH1A1KDM4ELMNATSHRPRKCA |
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-4214092-A | Rearrangement of acyloxy furans and thiophenes prepared from butenolides | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1980-07-22 | — | — | US | disclosed |