Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FKBP4 | Q02790 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL547347 | 1.00 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL3822239 | 1.00 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL3821804 | 1.00 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL29399931 | 1.00 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL2719598 | 1.00 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL15577086 | 1.00 | CYP2D6 (0.49) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL179200 | 0.98 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL18268908 | 0.98 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL3956872 | 0.93 | CA1 (0.57) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL10704300 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-9202783-A | — | — | None | — | — | JP | disclosed |
| JP-H09202783-A | MACROCYCLIC DIESTER | KURARAY CO LTD | 1997-08-05 | — | — | JP | disclosed |