Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 2/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.48 |
| ▸ | PTAFR | P25105 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5833683 | 0.97 | CYP2A6 (0.54) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL6159710 | 0.97 | CYP2A6 (0.54) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL15848131 | 0.94 | CYP2A6 (0.63) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL8200325 | 0.87 | CYP2A6 (0.68) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL8199794 | 0.87 | TDP1 (0.71) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL27486131 | 0.86 | CYP2A6 (0.58) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL13098626 | 0.85 | HRH1 (0.72) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL12040598 | 0.85 | HRH1 (0.72) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL3157976 | 0.84 | CYP2A6 (0.49) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 | |
| SCHEMBL8700016 | 0.82 | CYP1A2 (0.66) | CYP2A6TDP1L3MBTL1HRH1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6239146-B1 | PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORY ACTIVITY OF NOVEL .ALPHA.,.ALPHA.-DIFLUOROACETAMIDO COMPOUNDS, BIND TO IMMUNOPHILINS SUCH AS FKBP12 AND INHIBIT THEIR ROTAMASE ACTIVITY. | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-29 | — | — | US | disclosed |
| US-6096762-A | CONTACTING NERVE CELLS WITH A NEUROTROPHIC AMOUNT OF DIFLUOROAMIDE COMPOUND WITH AFFINITY FOR AN FK-506 BINDING PROTEIN FOR STIMULATING NEURITE GRWOTH IN NERVE CELLS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-08-01 | — | — | US | disclosed |