Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6788659 | 0.83 | CYP1A2 (0.56) | NCF1CYP1A2HTTNPC1RAB9A | |
| SCHEMBL18535317 | 0.81 | CYP1A2 (0.58) | NCF1CYP1A2HTTRAB9A | |
| SCHEMBL6783499 | 0.79 | NCF1 (0.58) | NCF1CYP1A2HTTPOLBRAB9A | |
| SCHEMBL6964689 | 0.79 | CYP1A2 (0.56) | NCF1CYP1A2HTTRAB9AKMT2A | |
| SCHEMBL6788358 | 0.79 | CYP2C19 (0.56) | NCF1CYP1A2HTTRAB9AKMT2A | |
| SCHEMBL28728112 | 0.79 | CYP1A2 (0.56) | NCF1CYP1A2HTTRAB9AKMT2A | |
| SCHEMBL14408133 | 0.78 | NCF1 (0.48) | NCF1CYP1A2HTTNPC1SLC2A1 | |
| SCHEMBL1366357 | 0.77 | CYP1A2 (0.62) | NCF1CYP1A2HTTRAB9AKMT2A | |
| SCHEMBL8232676 | 0.77 | CYP1A2 (0.62) | NCF1CYP1A2HTTRAB9AKMT2A | |
| SCHEMBL6789734 | 0.77 | CYP1A2 (0.53) | NCF1CYP1A2HTTRAB9AKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825215-B2 | N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-11-30 | — | — | US | disclosed |
| EP-1355901-A2 | 1,1-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLOPROTEASE AND TNF-$g(a) | Bristol-Myers Squibb Pharma Company (US) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002055516-A2 | 1,1-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLOPROTEASE AND TNF-$g(a) | BRISTOL MYERS SQUIBB CO (US) | 2002-07-18 | — | — | WO | disclosed |