Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL3793125 | 1.00 | ACHE (0.65) | ACHELMNATSHRALOX12CES2 | |
| Toluene SCHEMBL3282122 | 1.00 | ACHE (0.65) | ACHELMNATSHRALOX12CES2 | |
| Toluene SCHEMBL27912382 | 0.97 | LMNA (0.61) | ACHELMNATSHRALOX12CES2 | |
| Toluene SCHEMBL27379061 | 0.89 | LMNA (0.58) | ACHELMNATSHRALOX12CES2 | |
| Toluene SCHEMBL4094664 | 0.85 | LMNA (0.52) | ACHELMNATSHRALOX12CES2 | |
| P-Xylene SCHEMBL27590655 | 0.84 | ACHE (0.57) | ACHELMNATSHRCES2CES1 | |
| P-Xylene SCHEMBL27509708 | 0.84 | ACHE (0.57) | ACHELMNATSHRCES2CES1 | |
| Toluene SCHEMBL9091267 | 0.84 | — | — | |
| P-Xylene SCHEMBL7709712 | 0.84 | ACHE (0.57) | ACHELMNATSHRCES2CES1 | |
| Toluene SCHEMBL10858325 | 0.84 | — | — |
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-20090214883-A1 | CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION | HENKEL AG & CO. KGAA (DE) | 2009-08-27 | — | — | US | disclosed |