Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9885325 | 0.82 | PTGS2 (0.39) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL21966712 | 0.80 | ACHE (0.40) | ALDH1A1TDP1PTGS2CA2PTGS1 | |
| SCHEMBL14594236 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL13688744 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL31588907 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL15180056 | 0.78 | CA1 (0.55) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL23321603 | 0.76 | TDP1 (0.45) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL7968046 | 0.76 | PTGS2 (0.41) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL12401834 | 0.76 | MAP3K14 (0.41) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL190927 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1PTGS2ADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2922841-B1 | ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |