Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13527880 | 1.00 | PDE2A (0.43) | PDE2ACA12CA1CA2CA7 | |
| SCHEMBL256035 | 0.85 | MCHR1 (0.49) | PDE2ACA12CA1CA2CA7 | |
| SCHEMBL17141754 | 0.83 | PDE2A (0.58) | PDE2AMAPTALDH1A1 | |
| SCHEMBL240556 | 0.81 | NQO1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1391688 | 0.80 | NQO1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17980663 | 0.80 | EGFR (0.38) | PDE2AGRM5EGFR | |
| SCHEMBL256100 | 0.79 | ACACB (0.43) | GRM5ACACBKMT2AALDH1A1 | |
| SCHEMBL23704219 | 0.78 | ACACB (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30078388 | 0.78 | ACACB (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21535959 | 0.76 | ACACB (0.42) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867525-A | Improvements in and relating to nitrification inhibitors | 林肯大学 | 2023-03-28 | — | — | CN | disclosed |