Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17140737 | 0.80 | JAK2 (0.52) | ALDH1A1FPR3FPR2JAK2JAK1 | |
| SCHEMBL17140624 | 0.77 | SMN1; SMN2 (0.42) | CYP1A2SMN1; SMN2GAARAB9ANPC1 | |
| SCHEMBL17149444 | 0.77 | CA12 (0.41) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL28173332 | 0.75 | SMN1; SMN2 (0.48) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL20340406 | 0.75 | CYP1A2 (0.71) | CYP1A2SMN1; SMN2GAAALDH1A1LMNA | |
| SCHEMBL4465130 | 0.74 | CYP1A2 (0.45) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL16876701 | 0.71 | SMN1; SMN2 (0.63) | SMN1; SMN2CA12CA1CA2CA4 | |
| SCHEMBL17140740 | 0.70 | SMN1; SMN2 (0.34) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL11046085 | 0.69 | MAPT (0.47) | CYP1A2GAARAB9ANPC1ALDH1A1 | |
| SCHEMBL222683 | 0.69 | GPR119 (0.49) | SMN1; SMN2CA12CA1CA2CA4 |
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-2015154023-A1 | SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN | X-RX DISCOVERY, INC. (US) | 2015-10-08 | — | — | WO | disclosed |