Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726325 | 0.98 | CYP2D6 (0.44) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL11904413 | 0.93 | CYP2D6 (0.39) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL30636633 | 0.90 | CYP2D6 (0.41) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL13548376 | 0.90 | CYP2D6 (0.41) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL486895 | 0.88 | CYP2D6 (0.40) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL4125043 | 0.85 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL1472064 | 0.84 | CYP2D6 (0.36) | CYP2D6ALDH1A1 | |
| SCHEMBL15577093 | 0.84 | CYP2D6 (0.42) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL28379100 | 0.83 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL87947 | 0.83 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 |
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-2008089010-A1 | PREPARATION OF SECONDARY DIAMINES | ALBEMARLE CORPORATION (US) | 2008-07-24 | — | — | WO | disclosed |