Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | MGLL | Q99685 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | PHGDH | O43175 | 3/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364313 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11843285 | 0.94 | CA12 (0.56) | CA12CA1CA9CA2MGLL | |
| SCHEMBL10921979 | 0.80 | — | — | |
| SCHEMBL7331881 | 0.74 | — | — | |
| SCHEMBL10026536 | 0.74 | CA12 (0.59) | CA12CA1CA9CA2MGLL | |
| SCHEMBL11843273 | 0.72 | — | — | |
| SCHEMBL624180 | 0.72 | — | — | |
| SCHEMBL14184812 | 0.72 | CA12 (0.56) | CA12CA1CA9CA2MGLL | |
| SCHEMBL3461733 | 0.72 | — | — | |
| SCHEMBL1986557 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1918154-A | Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists | NPS PHARMA INC (SE) | 2007-02-21 | — | — | CN | disclosed |