Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.49 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL11339557 | 0.89 | TP53 (0.54) | TP53POLBALDH1A1TSHRCES2 | |
| Cyclohexylamine SCHEMBL27517421 | 0.85 | CYP3A4 (0.50) | TP53POLBALDH1A1PTPN1NPC1 | |
| SCHEMBL3125992 | 0.85 | TP53 (0.68) | TP53POLBALDH1A1TSHRCES2 | |
| Isophthalic Acid SCHEMBL27861769 | 0.83 | KMO (0.62) | POLBALDH1A1KMONPC1RAB9A | |
| SCHEMBL132618 | 0.83 | TP53 (1.00) | TP53ALDH1A1TSHRCES2CES1 | |
| SCHEMBL29490968 | 0.83 | TP53 (1.00) | TP53ALDH1A1TSHRCES2CES1 | |
| SCHEMBL27709081 | 0.83 | TP53 (1.00) | TP53ALDH1A1TSHRCES2CES1 | |
| 4-Nitrobenzoic Acid SCHEMBL4976592 | 0.82 | TDP1 (0.66) | POLBALDH1A1TSHRCES2CES1 | |
| SCHEMBL11320128 | 0.82 | TP53 (0.96) | TP53ALDH1A1TSHRCES2CES1 | |
| Ammonia Solution, Strong SCHEMBL1734091 | 0.82 | TP53 (0.96) | TP53ALDH1A1TSHRCES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7498293-B2 | Alkylaminosiloxanes as corrosion inhibitors | CIBA SPECIALTY CHEMICALS CORP. (US) | 2009-03-03 | — | — | US | disclosed |
| US-20050176596-A1 | Alkylaminosiloxanes as corrosion inhibitors | CIBA SPECIALTY CHEMICAL CORP. | 2005-08-11 | — | — | US | disclosed |