Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.46 |
| ▸ | GSTM2 | P28161 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3656353 | 0.83 | CA12 (0.44) | CA12CA1CA2CA9CA4 | |
| SCHEMBL3021341 | 0.82 | PLA2G2A (0.45) | CA12CA1CA2CA9CA4 | |
| SCHEMBL9038966 | 0.79 | CA12 (0.51) | CA12CA1CA2CA9MAPT | |
| SCHEMBL9794850 | 0.79 | CA1 (0.51) | CA12CA1CA2CA9MAPT | |
| SCHEMBL3016126 | 0.77 | PTGS2 (0.67) | CA12CA1CA2CA9CA4 | |
| SCHEMBL2958012 | 0.75 | CA12 (0.64) | CA12CA1CA2CA9CA4 | |
| SCHEMBL27563576 | 0.74 | CA12 (0.59) | CA12CA1CA2CA9MAPT | |
| SCHEMBL20545196 | 0.72 | SMN1; SMN2 (0.55) | CA12CA1CA2CA9MAPT | |
| SCHEMBL28942952 | 0.72 | ALDH1A1 (0.63) | MAPTRAB9ANPC1ESR1LMNA | |
| SCHEMBL28510538 | 0.71 | CA1 (0.66) | CA12CA1CA2CA9GSTP1 |
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-2200967-A2 | NEW NO-DONOR ASPIRIN DERIVATIVES | Nicox S.A. (FR) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009049961-A2 | NEW NO-DONOR ASPIRIN DERIVATIVES | NICOX S.A. (FR) | 2009-04-23 | — | — | WO | disclosed |