Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2349476 | 0.88 | TRPA1 (0.44) | TRPA1ATMALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL7089231 | 0.84 | SIGMAR1 (0.50) | ALDH1A1SIGMAR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7089233 | 0.84 | SIGMAR1 (0.50) | ALDH1A1SIGMAR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20408303 | 0.84 | SIGMAR1 (0.50) | ALDH1A1SIGMAR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13459536 | 0.79 | TRPA1 (0.44) | TRPA1ATMALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL7093096 | 0.78 | GRIN2D (0.44) | TRPA1ATMALDH1A1SIGMAR1HDAC3 | |
| SCHEMBL22100675 | 0.78 | NOS1 (0.45) | TRPA1ATMALDH1A1SIGMAR1MEN1 | |
| SCHEMBL13459520 | 0.76 | TRPA1 (0.41) | TRPA1ATMALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL18379075 | 0.76 | TRPA1 (0.41) | TRPA1ATMALDH1A1SIGMAR1CYP3A4 | |
| SCHEMBL8065124 | 0.73 | THRB (0.42) | TRPA1ALDH1A1CYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003084662-A2 | COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS | CELANESE VENTURES GMBH (DE) | 2003-10-16 | — | — | WO | disclosed |