Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.64 |
| ▸ | CNR1 | P21554 | 4/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | PTGIR | P43119 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13802412 | 0.87 | ABCB1 (0.65) | CNR2CNR1ABCB1PTGS1PTGS2 | |
| SCHEMBL13802382 | 0.82 | ABCB1 (0.60) | CNR2CNR1ABCB1PTGS1PTGS2 | |
| Delmetacin SCHEMBL286727 | 0.82 | ABCB1 (0.82) | ABCB1PTGS1PTGS2PTGIRLMNA | |
| SCHEMBL13802418 | 0.81 | RORC (0.64) | CNR2CNR1ABCB1PTGS1PTGS2 | |
| SCHEMBL13802389 | 0.80 | ABCB1 (0.70) | CNR2CNR1ABCB1PTGS1PTGS2 | |
| SCHEMBL13802409 | 0.79 | ABCB1 (0.81) | ABCB1PTGS1PTGS2PTGIRLMNA | |
| SCHEMBL13802410 | 0.79 | ABCB1 (0.68) | ABCB1PTGS1PTGS2PTGIRLMNA | |
| SCHEMBL4209798 | 0.78 | ABCB1 (0.71) | CNR2CNR1ABCB1PTGS1PTGS2 | |
| SCHEMBL2982593 | 0.78 | ABCB1 (0.55) | CNR2CNR1ABCB1PTGS1PTGS2 | |
| SCHEMBL12480026 | 0.78 | ABCB1 (0.64) | ABCB1PTGS1PTGS2PTGIRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996025397-A1 | INDOLE DERIVATIVES WITH AFFINITY FOR THE CANNABINOID RECEPTOR | MERCK FROSST CANADA INC. (CA) | 1996-08-22 | — | — | WO | claimed |
| WO-1996025397-A1 | INDOLE DERIVATIVES WITH AFFINITY FOR THE CANNABINOID RECEPTOR | MERCK FROSST CANADA INC. (CA) | 1996-08-22 | — | — | WO | disclosed |
| US-5532237-A | INTRAOCULAR FOR TREATMENT OF GLAUCOMA | MERCK FROSST CANADA, INC. (CA) | 1996-07-02 | — | — | US | disclosed |