Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12337476 | 0.81 | CHRM3 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4304979 | 0.78 | — | — | |
| SCHEMBL4537381 | 0.69 | ALDH1A1 (0.61) | MAPTALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL29435098 | 0.69 | ALDH1A1 (0.61) | MAPTALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL4915483 | 0.68 | — | — | |
| SCHEMBL3677772 | 0.68 | — | — | |
| SCHEMBL6545193 | 0.67 | LMNA (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2778609 | 0.67 | MAPT (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL43932 | 0.66 | — | — | |
| SCHEMBL10447298 | 0.66 | TSHR (0.48) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8263715-B2 | Hydrogel compositions and methods of preparation thereof | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2012-09-11 | — | — | US | disclosed |
| US-20110054064-A1 | Hydrogel Compositions and Methods of Preparation Thereof | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-03-03 | — | — | US | disclosed |