Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | ADAMTS5 | Q9UNA0 | 6/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8580642 | 0.85 | PTGS2 (0.57) | PTGS2PTGS1CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL8581179 | 0.81 | PTGS2 (0.49) | TP53RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL8532801 | 0.74 | PTGS2 (0.50) | PTGS2PTGS1ALDH1A1KMT2AMAOA | |
| SCHEMBL8581468 | 0.74 | PSMD14 (0.40) | MAPTPTGS2PTGS1CYP2C9ALDH1A1 | |
| SCHEMBL8532799 | 0.74 | PTGS2 (0.50) | PTGS2PTGS1ALDH1A1KMT2AMAOA | |
| SCHEMBL8172394 | 0.73 | PTGS2 (0.74) | RAB9ANPC1MAPTPTGS2PTGS1 | |
| SCHEMBL8172395 | 0.73 | PTGS2 (0.74) | RAB9ANPC1MAPTPTGS2PTGS1 | |
| SCHEMBL8580718 | 0.71 | MAPT (0.42) | TP53RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL8894274 | 0.70 | PTGS2 (0.43) | PTGS2PTGS1CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL8895024 | 0.70 | PTGS2 (0.43) | PTGS2PTGS1CYP2C9ALDH1A1HSD17B10 |
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-5731336-A | USING ARYL-SUBSTITUTED RHODAMINES | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | disclosed |