Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28146268 | 0.89 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4PTGS1CA12 | |
| SCHEMBL13589551 | 0.84 | RORC (0.53) | PTGS2PTGS1 | |
| SCHEMBL30846393 | 0.83 | CA9 (0.68) | PTGS2CYP2A6CYP3A4CA12CA1 | |
| SCHEMBL14378767 | 0.83 | PTGS2 (0.48) | PTGS2CYP3A4PTGS1CA12CA1 | |
| SCHEMBL18876343 | 0.81 | PTGS2 (0.76) | PTGS2CYP2A6CYP3A4PTGS1CA12 | |
| SCHEMBL12077434 | 0.78 | GAA (0.55) | CYP2A6CYP3A4CA12CA1CA2 | |
| SCHEMBL29497666 | 0.78 | NAPRT (0.63) | PTGS2CYP2A6CYP3A4PTGS1CA12 | |
| SCHEMBL355006 | 0.78 | NAPRT (0.63) | PTGS2CYP2A6CYP3A4PTGS1CA12 | |
| SCHEMBL8935802 | 0.76 | CYP2A6 (0.69) | CYP2A6CYP3A4CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL27577370 | 0.76 | NAPRT (0.61) | PTGS2PTGS1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102639500-B | Tricyclic compound, preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2015-02-11 | — | — | CN | disclosed |