Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | MMP12 | P39900 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL302785 | 0.81 | CA2 (0.69) | CA2MMP12MMP13IDO1ALDH1A1 | |
| SCHEMBL6555604 | 0.80 | CA1 (0.48) | CA2MMP13ALDH1A1TSHRCA1 | |
| SCHEMBL14495267 | 0.77 | CA2 (0.77) | CA2MMP12MMP13IDO1ALDH1A1 | |
| SCHEMBL3247748 | 0.75 | CA2 (0.62) | CA2MMP12MMP13IDO1ALDH1A1 | |
| SCHEMBL4175756 | 0.75 | CA2 (0.62) | CA2MMP12MMP13IDO1ALDH1A1 | |
| SCHEMBL29250508 | 0.74 | CA2 (0.60) | CA2MMP12MMP13IDO1ALDH1A1 | |
| SCHEMBL8788953 | 0.74 | CA2 (0.60) | CA2MMP12MMP13IDO1ALDH1A1 | |
| Diallylsulfone SCHEMBL4543929 | 0.73 | ALDH1A1 (0.33) | ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL11883181 | 0.73 | TSHR (0.47) | CA2IDO1ALDH1A1TSHRCA1 | |
| SCHEMBL28079972 | 0.73 | CA2 (0.56) | CA2IDO1ALDH1A1CA1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007129169-A2 | COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL | PFIZER LIMITED (GB) | 2007-11-15 | — | — | WO | disclosed |