Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798754 | 0.91 | CYP3A4 (0.57) | CYP3A4FAAHNAMPTIDO1PTPRB | |
| SCHEMBL8803281 | 0.88 | HDAC3 (0.51) | CYP3A4IDO1PTPRBHDAC3HDAC4 | |
| SCHEMBL8799637 | 0.83 | CYP3A4 (0.49) | CYP3A4FAAHNAMPTIDO1PTPRB | |
| SCHEMBL8799056 | 0.83 | SIGMAR1 (0.51) | CYP3A4IDO1PTPRBHDAC3HDAC4 | |
| SCHEMBL8798836 | 0.82 | CYP3A4 (0.56) | CYP3A4FAAHNAMPTIDO1PTPRB | |
| SCHEMBL29357760 | 0.81 | CYP3A4 (0.69) | CYP3A4FAAHNAMPTCHRNA7PTAFR | |
| SCHEMBL4603002 | 0.81 | CYP3A4 (0.69) | CYP3A4FAAHNAMPTCHRNA7PTAFR | |
| SCHEMBL8799761 | 0.81 | CYP3A4 (0.44) | CYP3A4NAMPTIDO1PTPRB | |
| SCHEMBL8329540 | 0.81 | IDO1 (0.50) | CYP3A4IDO1PTPRBHDAC3HDAC4 | |
| SCHEMBL8798249 | 0.80 | CYP3A4 (0.46) | CYP3A4FAAHNAMPTIDO1PTPRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0792878-A2 | Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism | Dompé S.P.A. (IT) | 1997-09-03 | — | — | EP | disclosed |