Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 4/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | STS | P08842 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1928327 | 0.94 | STS (0.65) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2188550 | 0.89 | STS (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6132404 | 0.89 | STS (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL24095014 | 0.84 | STS (0.53) | STSRAB9ALMNACXCR2MAPT | |
| SCHEMBL6935157 | 0.83 | CXCR2 (0.47) | CA1CA2CA9GAACXCR2 | |
| SCHEMBL20537130 | 0.82 | CXCR2 (0.48) | CA1CA2CA9GAACXCR2 | |
| SCHEMBL3004003 | 0.82 | STS (0.51) | CA1CA2CA12CA9CA14 | |
| SCHEMBL3316267 | 0.81 | STS (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16182657 | 0.80 | ALDH1A1 (0.70) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6352149 | 0.79 | STS (0.48) | CA1CA2STSRAB9ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1763509-A1 | ALPHA-HELICAL MIMETICS | THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) | 2007-03-21 | — | — | EP | disclosed |
| WO-2006002474-A1 | ALPHA-HELICAL MIMETICS | THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) | 2006-01-12 | — | — | WO | disclosed |