Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 9/20 | 0.41 |
| ▸ | CA9 | Q16790 | 9/20 | 0.41 |
| ▸ | CA2 | P00918 | 8/20 | 0.41 |
| ▸ | CA7 | P43166 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.33 |
| ▸ | WNT3A | P56704 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19586659 | 0.78 | CA12 (0.43) | CA12CA9CA2CA7CA1 | |
| SCHEMBL1081860 | 0.77 | CA12 (0.50) | CA12CA9CA2CA7CA1 | |
| SCHEMBL8995896 | 0.77 | CA12 (0.44) | CA12CA9CA2CA7CA1 | |
| SCHEMBL10656700 | 0.76 | CA12 (0.49) | CA12CA9CA2CA7CA1 | |
| SCHEMBL5093607 | 0.72 | CA12 (0.45) | CA12CA9CA2CA7CA1 | |
| SCHEMBL7763714 | 0.71 | CA12 (0.44) | CA12CA9CA2CA7CA1 | |
| SCHEMBL3257815 | 0.70 | ALDH1A1 (0.54) | CA12CA9CA2CA7CA1 | |
| SCHEMBL3806455 | 0.70 | PTGER4 (0.47) | CA12CA9CA2CA7CA1 | |
| SCHEMBL230481 | 0.69 | CA9 (0.50) | CA12CA9CA2CA7CA1 | |
| SCHEMBL3259642 | 0.69 | CA1 (0.50) | CA12CA9CA2CA7CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6692931-B1 | MESSENGER SUBSTANCES, SIGNALING SUBSTANCES, PROMOTERS, STIMULATORS AND INITIATORS IN METABOLIC PROCESSES OF ANIMALS AND HUMAN BEINGS, WHICH DIRECTLY OR INDIRECTLY INFLUENCE THESE METABOLIC PROCESSES | Reutter, Werner (DE) | 2004-02-17 | — | — | US | disclosed |