Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FOS | P01100 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL1758882 | 0.80 | CYP2A6 (0.41) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL1758330 | 0.80 | CYP2A6 (0.41) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL17969091 | 0.80 | TSHR (0.54) | SMN1; SMN2KMT2AAKR1C3ALDH1A1KDM4E | |
| SCHEMBL1758165 | 0.80 | CYP2A6 (0.41) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL3470164 | 0.80 | TSHR (0.54) | SMN1; SMN2KMT2AAKR1C3ALDH1A1KDM4E | |
| SCHEMBL6247478 | 0.80 | CYP2A6 (0.41) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL1758883 | 0.80 | CYP2A6 (0.41) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL4697789 | 0.78 | CYP2A6 (0.39) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL3595056 | 0.78 | GSK3B (0.42) | CYP2A6PTGS2RAB9AMAPTNPC1 | |
| SCHEMBL11048028 | 0.78 | CYP2A6 (0.39) | CYP2A6PTGS2RAB9AMAPTNPC1 |
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-2023238836-A1 | SILSESQUIOXANE DERIVATIVE AND METHOD FOR PRODUCING SAME, CURABLE COMPOSITION, HARD COAT AGENT, CURED PRODUCT, HARD COAT, AND BASE MATERIAL | 東亞合成株式会社 | 2023-12-14 | — | — | WO | disclosed |