Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 7/20 | 0.37 |
| ▸ | CNR2 | P34972 | 7/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8848129 | 0.95 | ESR1 (0.39) | NR1H4ESR1LTB4RLTB4R2MAPK1 | |
| SCHEMBL8855598 | 0.88 | LTB4R (0.43) | NR1H4LTB4RLTB4R2MAPK1MEN1 | |
| SCHEMBL8848044 | 0.84 | CNR2 (0.37) | NR1H4LTB4RLTB4R2MAPK1HTT | |
| SCHEMBL8848507 | 0.83 | LTB4R (0.45) | NR1H4LTB4RLTB4R2MAPK1MEN1 | |
| SCHEMBL15391279 | 0.82 | THRB (0.39) | ESR1MAPTNPSR1 | |
| SCHEMBL8848384 | 0.82 | CNR2 (0.35) | MAPK1MEN1HTTKMT2ACNR1 | |
| SCHEMBL3421399 | 0.81 | NR5A1 (0.46) | MEN1MAPTKMT2ACNR2NPC1 | |
| SCHEMBL29236180 | 0.81 | NR5A1 (0.46) | MEN1MAPTKMT2ACNR2NPC1 | |
| SCHEMBL8848576 | 0.81 | MAPT (0.44) | ESR1MAPK1MEN1MAPTHTT | |
| SCHEMBL27717505 | 0.80 | ESR1 (0.37) | ESR1LTB4RLTB4R2CNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5543518-A | ALKYLATION OF TRIS-ARYL-S-TRIAZINE COMPOUNDS WITH ALKENES, CYCLOALKENES, PHENYLALKENES | CIBA-GEIGY CORPORATION (US) | 1996-08-06 | — | — | US | disclosed |