Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.51 |
| ▸ | GUSB | P08236 | 3/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | CBFB | Q13951 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7978070 | 0.87 | AMY1A (0.47) | AMY1ANPC1RAB9AATMERAP1 | |
| SCHEMBL7396331 | 0.85 | KDM4E (0.53) | AMY1ANPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7392370 | 0.84 | AMY1A (0.46) | AMY1ANPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7396880 | 0.80 | NPBWR1 (0.51) | AMY1ANPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7394472 | 0.79 | AMY1A (0.42) | AMY1ANPC1RAB9AATMERAP1 | |
| SCHEMBL7386529 | 0.78 | GUSB (0.57) | AMY1AGUSBKDM4EALDH1A1HPSE | |
| SCHEMBL7394144 | 0.78 | HPSE (0.58) | AMY1ANPC1RAB9AGUSBKDM4E | |
| SCHEMBL7396027 | 0.78 | HPSE (0.49) | AMY1ANPC1RAB9AGUSBKDM4E | |
| SCHEMBL295717 | 0.77 | GUSB (0.48) | NPC1RAB9AGUSBKDM4EPDE5A | |
| SCHEMBL4494716 | 0.77 | NPC1 (0.68) | AMY1ANPC1RAB9AATMERAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001066526-A1 | ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM | CERMOL S.A. (CH) | 2001-09-13 | — | — | WO | claimed |
| EP-1132381-A1 | Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them | CERMOL S.A. (CH) | 2001-09-12 | — | — | EP | claimed |
| WO-2001066526-A1 | ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM | CERMOL S.A. (CH) | 2001-09-13 | — | — | WO | disclosed |
| EP-1132381-A1 | Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them | CERMOL S.A. (CH) | 2001-09-12 | — | — | EP | disclosed |