Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13548376 | 1.00 | CYP2D6 (0.41) | CYP2D6CA1CA2CA4CCR2 | |
| SCHEMBL486895 | 0.98 | CYP2D6 (0.40) | CYP2D6CA1CA2CA4CCR2 | |
| SCHEMBL1472064 | 0.95 | CYP2D6 (0.36) | CYP2D6CCR2ALDH1A1CYP1A2 | |
| SCHEMBL3726325 | 0.91 | CYP2D6 (0.44) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL4740930 | 0.90 | CYP2D6 (0.43) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL8032810 | 0.90 | CYP2D6 (0.37) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL1767335 | 0.90 | CYP2D6 (0.37) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL11904413 | 0.86 | CYP2D6 (0.39) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL1238202 | 0.82 | CYP2D6 (0.43) | CYP2D6 | |
| SCHEMBL486885 | 0.82 | CYP2D6 (0.40) | CYP2D6CA1CA2CA4CCR2 |
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-20240336868-A1 | COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS | THE PROCTER & GAMBLE COMPANY | 2024-10-10 | — | — | US | disclosed |
| CN-112638892-B | Perfume materials | 高砂香料工业株式会社 | 2023-11-21 | — | — | CN | disclosed |