Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18700920 | 0.81 | HTT (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL420868 | 0.80 | CETP (0.44) | PPARACA12CA1CA2CA7 | |
| SCHEMBL4778228 | 0.80 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21671633 | 0.79 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4520339 | 0.78 | KDM4E (0.44) | MAPK1METAP2CYP3A4 | |
| SCHEMBL23339915 | 0.76 | METAP2 (0.43) | MAPK1METAP2 | |
| SCHEMBL27684933 | 0.76 | GPR17 (0.36) | MAPK1METAP2TSHRTPMT | |
| SCHEMBL1349845 | 0.76 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27435966 | 0.76 | PTGS2 (0.55) | PPARACA12CA1CA2CA7 | |
| SCHEMBL23327273 | 0.75 | CYP3A4 (0.53) | CA9LMNAMAPK1HTTRAB9A |
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-2011153359-A1 | GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-12-08 | — | — | WO | disclosed |