Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14099177 | 0.87 | L3MBTL1 (0.57) | HSD17B10KLKB1L3MBTL1POLBTDP1 | |
| SCHEMBL553565 | 0.84 | HSD17B10 (0.59) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL27259482 | 0.79 | KLKB1 (0.51) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL20258138 | 0.77 | HSD17B10 (0.51) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL1979091 | 0.76 | MAPT (0.65) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL4671469 | 0.76 | HSD17B10 (0.44) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL28393209 | 0.73 | L3MBTL1 (0.47) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL14329313 | 0.73 | CYP3A4 (0.49) | KLKB1L3MBTL1CYP3A4CYP2C9LMNA | |
| SCHEMBL12266128 | 0.72 | CYP3A4 (0.43) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL18507345 | 0.71 | CYP3A4 (0.48) | HSD17B10KLKB1L3MBTL1CYP3A4CYP2C9 |
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-2601189-B1 | N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN | NOVARTIS AG (CH) | 2015-04-15 | — | — | EP | disclosed |