Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA7 | P43166 | 6/20 | 0.39 |
| ▸ | CA9 | Q16790 | 6/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | XDH | P47989 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | FUT7 | Q11130 | 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 | |
|---|---|---|---|---|
| SCHEMBL294584 | 0.89 | CA12 (0.47) | CTPS1CA12CA1CA2CA7 | |
| SCHEMBL19638255 | 0.73 | CTPS1 (0.49) | CTPS1CA12CA1CA2CA7 | |
| SCHEMBL1529765 | 0.71 | CES2 (0.59) | CTPS1CA12CA1CA2CA7 | |
| SCHEMBL161928 | 0.71 | CTPS1 (0.43) | CTPS1CA12CA1CA2CA7 | |
| SCHEMBL70248 | 0.71 | CA1 (0.47) | CTPS1CA12CA1CA2CA7 | |
| SCHEMBL131369 | 0.71 | DAO (0.67) | CTPS1CA12CA1CA2CA7 | |
| SCHEMBL9372373 | 0.70 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6882926 | 0.70 | ALAD (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL166311 | 0.69 | — | — | |
| SCHEMBL25399448 | 0.69 | OPRD1 (0.45) | CTPS1CA1CA2LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2284169-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | Otsuka Pharmaceutical Co., Limited (JP) | 2011-02-16 | — | — | EP | disclosed |