Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329540 | 0.85 | IDO1 (0.50) | CYP3A4IDO1LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL8799761 | 0.83 | CYP3A4 (0.44) | KEAP1NFE2L2CYP3A4CA12CA1 | |
| SCHEMBL8798754 | 0.82 | CYP3A4 (0.57) | CYP3A4IDO1RAB9AKDM4EL3MBTL1 | |
| SCHEMBL8803281 | 0.80 | HDAC3 (0.51) | CYP3A4CA1CA2IDO1LMNA | |
| SCHEMBL8799056 | 0.79 | SIGMAR1 (0.51) | CYP3A4CA1CA2IDO1LMNA | |
| SCHEMBL8800040 | 0.78 | LTA4H (0.42) | NPC1LMNARAB9ASMN1; SMN2KDM4E | |
| SCHEMBL8633540 | 0.78 | IDO1 (0.46) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL8798252 | 0.77 | CYP3A4 (0.56) | CYP3A4IDO1PTPRB | |
| SCHEMBL8799915 | 0.77 | CA1 (0.45) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL8799637 | 0.76 | CYP3A4 (0.49) | CYP3A4CA12CA1CA2CA9 |
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 |