Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | NCF1 | P14598 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GALR3 | O60755 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964916 | 0.85 | CYP1A2 (0.60) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL18535317 | 0.84 | CYP1A2 (0.58) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL8232676 | 0.83 | CYP1A2 (0.62) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL6788358 | 0.82 | CYP2C19 (0.56) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL28728112 | 0.82 | CYP1A2 (0.56) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL6783499 | 0.82 | NCF1 (0.58) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL1366357 | 0.79 | CYP1A2 (0.62) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL6789734 | 0.79 | CYP1A2 (0.53) | CYP1A2NCF1SMN1; SMN2HTTKDM4E | |
| SCHEMBL6788451 | 0.79 | NCF1 (0.60) | CYP1A2NCF1HTTRAB9AKMT2A | |
| SCHEMBL6790022 | 0.79 | NCF1 (0.60) | CYP1A2NCF1SMN1; SMN2HTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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-$g(a) | Bristol-Myers Squibb Pharma Company (US) | 2003-10-29 | — | — | EP | disclosed |
| US-6455522-B1 | ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-24 | — | — | US | disclosed |
| WO-2002055491-A2 | 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) | BRISTOL MYERS SQUIBB COMPANY P (US) | 2002-07-18 | — | — | WO | disclosed |