Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | FASN | P49327 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RBP4 | P02753 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12698679 | 0.85 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19562300 | 0.83 | FASN (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12698683 | 0.83 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15534545 | 0.82 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20750373 | 0.81 | NPY2R (0.48) | FASNMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20261717 | 0.78 | CA12 (0.73) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31542129 | 0.77 | CYP2B6 (0.58) | KMT2ASMN1; SMN2ALDH1A1CYP2B6 | |
| SCHEMBL20750429 | 0.76 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2629513 | 0.76 | BLM (0.60) | FASNSMN1; SMN2ALDH1A1POLBHPGD | |
| SCHEMBL1512436 | 0.75 | CA12 (0.65) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012151452-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY | AGIOS PHARMACEUTICALS, INC (US) | 2012-11-08 | — | — | WO | disclosed |
| WO-2012092442-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | WO | disclosed |