Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 3/20 | 0.34 |
| ▸ | FNTB | P49356 | 2/20 | 0.34 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | FASN | P49327 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902195 | 0.83 | ABL1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7915828 | 0.83 | TSHR (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7910802 | 0.83 | TSHR (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7908120 | 0.83 | MGLL (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7908933 | 0.83 | TSHR (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7912598 | 0.82 | CA12 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7902201 | 0.82 | RAB9A (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7912463 | 0.82 | CA12 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7912461 | 0.82 | CYP1A2 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7909786 | 0.76 | NAMPT (0.41) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |