Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.66 |
| ▸ | CA1 | P00915 | 3/20 | 0.66 |
| ▸ | CA2 | P00918 | 3/20 | 0.66 |
| ▸ | CA7 | P43166 | 3/20 | 0.66 |
| ▸ | CA9 | Q16790 | 3/20 | 0.66 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.66 |
| ▸ | FASN | P49327 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.56 |
| ▸ | CCR1 | P32246 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | NEK2 | P51955 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8154103 | 0.90 | CA12 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8164463 | 0.87 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8155110 | 0.87 | SLC6A7 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3640115 | 0.86 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8161638 | 0.84 | USP2 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7813954 | 0.80 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8155716 | 0.79 | CYP3A4 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1427539 | 0.78 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL97240 | 0.78 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8150817 | 0.77 | FASN (0.67) | FASNHPGDMAPK1ALDH1A1LMNA |
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-2008151184-A1 | BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | VANDERBILT UNIVERSITY (US) | 2008-12-11 | — | — | WO | disclosed |