Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28417828 | 0.87 | HCAR2 (0.43) | MAPTHCAR2ATMALDH1A1CACNA1B | |
| SCHEMBL27801168 | 0.85 | GSTP1 (0.39) | MAPTHCAR2ATMALDH1A1CACNA1B | |
| SCHEMBL11054119 | 0.85 | GSTP1 (0.39) | MAPTHCAR2ATMALDH1A1CACNA1B | |
| SCHEMBL8672035 | 0.83 | HCAR2 (0.57) | MAPTHCAR2ATMALDH1A1RAB9A | |
| SCHEMBL8765629 | 0.80 | HCAR2 (0.46) | MAPTHCAR2ATMALDH1A1NR1I2 | |
| SCHEMBL7250372 | 0.79 | GSTP1 (0.36) | MAPTHCAR2ATMALDH1A1CACNA1B | |
| SCHEMBL2469637 | 0.79 | HCAR2 (0.57) | MAPTHCAR2ATMALDH1A1TSHR | |
| SCHEMBL4799130 | 0.79 | MAPT (0.52) | MAPTHCAR2ATMALDH1A1CYP3A4 | |
| SCHEMBL6050194 | 0.79 | MAPT (0.52) | MAPTHCAR2ATMALDH1A1CYP3A4 | |
| SCHEMBL27630882 | 0.79 | HCAR2 (0.54) | MAPTHCAR2ATMALDH1A1ALOX15 |
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-2001053249-A1 | PROCESS FOR THE CARBONYLATION OF BUTADIENE AND/OR AT LEAST ONE BUTADIENE DERIVATIVE | DSM N.V. (NL) | 2001-07-26 | — | — | WO | disclosed |
| EP-1118607-A1 | Process for the carbonylation of butadiene and/or at least one butadiene derivative | DSM N.V. (NL) | 2001-07-25 | — | — | EP | disclosed |
| WO-2001021569-A1 | PROCESS FOR THE PREPARATION OF 3-PENTENOIC ACID AND/OR ESTER THEREOF STARTING FROM BUTADIENE | DSM N.V. (NL) | 2001-03-29 | — | — | WO | disclosed |
| EP-1085004-A1 | Process for the carbonylation of butadiene and/or butadiene derivative | DSM N.V. (NL) | 2001-03-21 | — | — | EP | disclosed |