Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.39 |
| ▸ | PPARD | Q03181 | 7/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13407119 | 0.84 | FFAR1 (0.34) | KMT2AMAPTALDH1A1TDP1FFAR1 | |
| SCHEMBL8896237 | 0.82 | KMT2A (0.55) | KMT2AMAPTCES2CES1HAO1 | |
| SCHEMBL10256928 | 0.81 | FFAR1 (0.36) | KMT2AMAPTALDH1A1TDP1FFAR1 | |
| SCHEMBL10301437 | 0.81 | TSHR (0.38) | MAPTCES2TSHRALOX15 | |
| SCHEMBL10258989 | 0.81 | FFAR1 (0.31) | TDP1FFAR1 | |
| SCHEMBL10258627 | 0.80 | FFAR1 (0.61) | KMT2AMAPTTSHRALDH1A1TDP1 | |
| SCHEMBL10257672 | 0.79 | FFAR1 (0.55) | KMT2AMAPTTSHRALDH1A1TDP1 | |
| SCHEMBL10256927 | 0.79 | FFAR1 (0.33) | TDP1FFAR1 | |
| SCHEMBL12092743 | 0.79 | SPHK2 (0.34) | MAPTCES2TSHRALOX15 | |
| SCHEMBL8896005 | 0.77 | KMT2A (0.59) | KMT2AMAPTCES2CES1HAO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2539375-A2 | INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II | BASF Corporation (US) | 2013-01-02 | — | — | EP | disclosed |
| WO-2011106480-A2 | INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS II | BASF CORPORATION (US) | 2011-09-01 | — | — | WO | disclosed |