Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.53 |
| ▸ | NCF1 | P14598 | 12/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL832149 | 0.87 | BACE1 (0.58) | BACE1NCF1KDM4EALDH1A1GLA | |
| SCHEMBL6969427 | 0.82 | BACE1 (0.53) | BACE1NCF1KDM4EALDH1A1GLA | |
| SCHEMBL2330449 | 0.81 | PARP1 (0.50) | BACE1NCF1KDM4ECHRM1TSHR | |
| SCHEMBL7262455 | 0.80 | KDM4E (0.43) | KDM4EALDH1A1GLAHPGDCASP1 | |
| SCHEMBL4264705 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1GLAHPGDSMN1; SMN2 | |
| SCHEMBL16836343 | 0.79 | TLR8 (0.58) | BACE1NCF1KDM4EALDH1A1GLA | |
| SCHEMBL6788358 | 0.79 | CYP2C19 (0.56) | NCF1KDM4EALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL6983102 | 0.79 | KDM4E (0.46) | KDM4EALDH1A1GLAHPGDMAOA | |
| SCHEMBL10630961 | 0.78 | TLR8 (0.59) | BACE1NCF1KDM4EALDH1A1GLA | |
| SCHEMBL6968709 | 0.78 | BACE1 (0.56) | BACE1NCF1KDM4EALDH1A1GLA |
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-2004022567-A1 | HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-18 | — | — | WO | disclosed |
| US-6642255-B2 | Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-11-04 | — | — | US | disclosed |
| EP-1355648-A2 | 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) | Bristol-Myers Squibb Pharma Company (US) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002055491-A2 | 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) | BRISTOL MYERS SQUIBB COMPANY P (US) | 2002-07-18 | — | — | WO | disclosed |