Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.42 |
| ▸ | CA2 | P00918 | 9/20 | 0.42 |
| ▸ | CA9 | Q16790 | 8/20 | 0.42 |
| ▸ | CA12 | O43570 | 6/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 2/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29389817 | 0.82 | PDIA6 (0.44) | CA1CA2CA9CA12CA3 | |
| SCHEMBL18613992 | 0.82 | CA12 (0.39) | CA1CA9CA12ALDH1A1STAT3 | |
| SCHEMBL16619075 | 0.82 | CA12 (0.39) | CA1CA9CA12ALDH1A1STAT3 | |
| SCHEMBL28618392 | 0.81 | CA1 (0.46) | CA1CA2CA9CA12CA3 | |
| SCHEMBL31424453 | 0.78 | PDIA6 (0.41) | CA1CA2CA9CA12CA3 | |
| SCHEMBL31022659 | 0.78 | PTGS2 (0.39) | CA1CA9CA12LMNAALDH1A1 | |
| SCHEMBL2486732 | 0.76 | CYP2D6 (0.39) | CA1CA9CA12ALDH1A1STAT3 | |
| SCHEMBL1806651 | 0.76 | KDM4E (0.41) | CA1CA2CA9CA12CA3 | |
| SCHEMBL8215092 | 0.76 | CA2 (0.42) | CA1CA2CA9CA12CA3 | |
| SCHEMBL28116030 | 0.76 | TAAR1 (0.56) | CA1CA2CA9CA12CA3 |
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-5747000-A | 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |