Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.50 |
| ▸ | F7 | P08709 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.46 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 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 | |
|---|---|---|---|---|
| SCHEMBL28311634 | 0.83 | AHR (0.50) | AHRCYP2A6MAOACA1CA2 | |
| SCHEMBL17613377 | 0.83 | AHR (0.50) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL8666600 | 0.83 | HDAC1 (0.55) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL28755927 | 0.80 | CYP2A6 (0.56) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL5057022 | 0.79 | AHR (0.50) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL951685 | 0.79 | USP2 (0.55) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL30614296 | 0.79 | USP2 (0.55) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL6582346 | 0.79 | AHR (0.55) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL29361377 | 0.79 | AHR (0.50) | AHRCYP2A6NR4A2F7LTA4H | |
| SCHEMBL763201 | 0.79 | AHR (0.50) | AHRCYP2A6NR4A2F7LTA4H |
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-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 |