Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14008501 | 0.83 | HTT (0.59) | CYP1A2HTTLMNAPKMCYP2C19 | |
| SCHEMBL6620901 | 0.78 | L3MBTL1 (0.48) | CYP1A2CYP2A6HTTLMNACYP2C19 | |
| SCHEMBL8466241 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2A6HTTLMNACYP2C19 | |
| SCHEMBL488963 | 0.75 | TSHR (0.45) | CYP1A2CYP2A6HTTCYP2C19ALDH1A1 | |
| SCHEMBL29853841 | 0.75 | TSHR (0.45) | CYP1A2CYP2A6HTTCYP2C19ALDH1A1 | |
| SCHEMBL17417162 | 0.75 | TRPM4 (0.47) | CYP1A2CYP2A6HTTLMNACYP2C19 | |
| SCHEMBL488903 | 0.75 | CYP3A4 (0.50) | CYP1A2CYP2A6HTTALDH1A1TSHR | |
| SCHEMBL31283575 | 0.75 | CYP3A4 (0.50) | CYP1A2CYP2A6HTTALDH1A1TSHR | |
| SCHEMBL14902934 | 0.74 | CYP1A2 (0.44) | CYP1A2CYP2A6HTTLMNAPKM | |
| SCHEMBL27279699 | 0.74 | CYP2A6 (0.45) | CYP1A2CYP2A6ALDH1A1TSHRPDCD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0835289-A1 | AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS | Ciba SC Holding AG (CH) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001606-A1 | AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1997-01-16 | — | — | WO | disclosed |