Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM6B | O15054 | 3/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.38 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28027193 | 1.00 | CA12 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2542310 | 0.88 | L3MBTL1 (0.41) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2542315 | 0.88 | L3MBTL1 (0.41) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28026658 | 0.84 | KMT2A (0.52) | ALDH1A1CYP2C9RAB9AKMT2AGAA | |
| SCHEMBL28026661 | 0.84 | KMT2A (0.52) | ALDH1A1CYP2C9RAB9AKMT2AGAA | |
| SCHEMBL3776648 | 0.80 | ALDH1A1 (0.54) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28026689 | 0.77 | ALDH1A1 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28026693 | 0.77 | ALDH1A1 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3785010 | 0.76 | KMT2A (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3780022 | 0.74 | L3MBTL1 (0.59) | CA12CA1CA2CA9CA14 |
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-102858778-B | Heterobiaryl-cyclohexyl-tetrazine is [e] Azulene also | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-26 | — | — | CN | disclosed |