Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENTPD2 | Q9Y5L3 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3098005 | 0.91 | CA12 (0.36) | ENTPD2CA12CA1CA2CA9 | |
| SCHEMBL3029084 | 0.80 | CYP1A2 (0.42) | ENTPD2CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL3029081 | 0.79 | CYP1A2 (0.41) | ENTPD2CA12CA1CA2CA9 | |
| SCHEMBL5273397 | 0.79 | TSHR (0.38) | ENTPD2CA12CA1CA2CA9 | |
| SCHEMBL3090756 | 0.79 | TSHR (0.37) | CA12CA1CA2CA9TSHR | |
| SCHEMBL3008229 | 0.77 | TSHR (0.39) | ENTPD2CA12CA1CA2CA9 | |
| SCHEMBL15127565 | 0.76 | TSHR (0.41) | ENTPD2CA12CA1CA2CA9 | |
| SCHEMBL3109030 | 0.76 | CA12 (0.37) | CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL3008227 | 0.75 | TSHR (0.38) | ENTPD2CA12CA1CA2CA9 | |
| SCHEMBL3097941 | 0.75 | CA12 (0.39) | CA12CA1CA2CA9ALOX15 |
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-20100247463-A1 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | YU RUEY J | 2010-09-30 | — | — | US | claimed |