Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | EYA2 | O00167 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL2886330 | 0.85 | CA1 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL15080409 | 0.84 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6534981 | 0.84 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25175802 | 0.83 | CA1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11601843 | 0.82 | CA1 (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL16650139 | 0.82 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25783587 | 0.82 | TDP1 (0.32) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL969491 | 0.78 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL22341266 | 0.76 | CA12 (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL562965 | 0.76 | TDP1 (0.47) | HSD17B10TDP1EYA2APPACE |
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-8476224-B2 | Macrocycles and their uses | NOVARTIS AG (US) | 2013-07-02 | — | — | US | disclosed |