Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 14/20 | 0.67 |
| ▸ | CA2 | P00918 | 14/20 | 0.67 |
| ▸ | CA9 | Q16790 | 8/20 | 0.67 |
| ▸ | CA5A | P35218 | 5/20 | 0.67 |
| ▸ | CA7 | P43166 | 4/20 | 0.67 |
| ▸ | CA4 | P22748 | 4/20 | 0.67 |
| ▸ | CA6 | P23280 | 4/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.67 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL2235833 | 1.00 | CA1 (0.67) | CA1CA2CA9CA5ACA7 | |
| Benzene SCHEMBL10457003 | 1.00 | CA1 (0.67) | CA1CA2CA9CA5ACA7 | |
| Sulfamide SCHEMBL5880 | 0.82 | — | — | |
| Benzene SCHEMBL2344334 | 0.80 | CA1 (0.73) | CA1CA2CA9CA5ACA7 | |
| Benzene SCHEMBL17784484 | 0.80 | CA1 (0.42) | CA1CA2CA9CA5ACA7 | |
| Benzene SCHEMBL6661878 | 0.80 | CA1 (0.73) | CA1CA2CA9CA5ACA7 | |
| Biphenyl SCHEMBL187355 | 0.78 | CA2 (0.67) | CA1CA2CA9CA5ACA7 | |
| Pyridine SCHEMBL11570751 | 0.78 | NAPRT (0.60) | CA1CA2CA9CA5ACA7 | |
| Benzene SCHEMBL28967058 | 0.77 | CA2 (0.40) | CA1CA2CA9CA5ACA7 | |
| Sulfamide SCHEMBL3409127 | 0.76 | — | — |
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-2005075073-A1 | WATER-SOLUBLE TRANSITION METAL-DIAMINE COMPLEX AND USE THEREOF | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2005-08-18 | — | — | WO | disclosed |