Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 14/20 | 0.45 |
| ▸ | BCHE | P06276 | 13/20 | 0.45 |
| ▸ | TTPA | P49638 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7836919 | 0.90 | PTGS1 (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL27496590 | 0.90 | PTGS1 (0.60) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7836530 | 0.88 | PTGS1 (0.55) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7838231 | 0.88 | PTGS1 (0.55) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7836923 | 0.88 | PTGS1 (0.55) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7836621 | 0.87 | PTGS1 (0.53) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL20764447 | 0.83 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7838636 | 0.80 | PTGS1 (0.67) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7839838 | 0.79 | TTPA (0.44) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7833220 | 0.79 | TTPA (0.53) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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-5565429-A | HUMAN LEUCOCYTE ELASTASE INHIBITORS; EMPHYSEMA; ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES | ADIR ET COMPAGNIE (FR) | 1996-10-15 | — | — | US | disclosed |