Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8799637 | 0.82 | CYP3A4 (0.49) | CYP3A4NAMPTRAB9APTPRBIDO1 | |
| SCHEMBL8798754 | 0.81 | CYP3A4 (0.57) | CYP3A4NAMPTRAB9APTPRBIDO1 | |
| SCHEMBL8798252 | 0.80 | CYP3A4 (0.56) | CYP3A4NAMPTPTPRBIDO1FAAH | |
| SCHEMBL8799915 | 0.76 | CA1 (0.45) | CYP3A4GAAPTPRBIDO1NPSR1 | |
| SCHEMBL8798836 | 0.76 | CYP3A4 (0.56) | CYP3A4NAMPTRAB9APTPRBIDO1 | |
| SCHEMBL25496745 | 0.75 | CYP3A4 (0.56) | CYP3A4GAANAMPTRAB9AIDO1 | |
| SCHEMBL29907305 | 0.75 | CYP3A4 (0.56) | CYP3A4GAANAMPTRAB9AIDO1 | |
| SCHEMBL28975900 | 0.75 | CYP3A4 (0.56) | CYP3A4GAANAMPTRAB9AIDO1 | |
| SCHEMBL8799761 | 0.74 | CYP3A4 (0.44) | CYP3A4NAMPTPTPRBIDO1NPSR1 | |
| SCHEMBL8800029 | 0.73 | KEAP1 (0.42) | CYP3A4RAB9APTPRBIDO1SMN1; SMN2 |
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 |