Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.60 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.56 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.56 |
| ▸ | PRKACA | P17612 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | GSK3A | P49840 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.56 |
| ▸ | PRKX | P51817 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.56 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.56 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.56 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789871 | 1.00 | PIN1 (0.60) | PIN1NR1H4ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL7782138 | 0.91 | NPC1 (0.59) | PIN1NR1H4ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL6946318 | 0.90 | PIN1 (0.66) | PIN1NR1H4DEGS1MEN1KMT2A | |
| SCHEMBL7786980 | 0.86 | NR1H4 (0.65) | PIN1NR1H4ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL6802171 | 0.84 | DEGS1 (0.57) | PIN1ROCK2RPS6KA5RPS6KA4PRKACA | |
| SCHEMBL6802167 | 0.84 | DEGS1 (0.57) | PIN1ROCK2RPS6KA5RPS6KA4PRKACA | |
| SCHEMBL6945342 | 0.83 | PIN1 (0.55) | PIN1NR1H4DEGS1MEN1KMT2A | |
| SCHEMBL7789992 | 0.83 | NR1H4 (0.58) | PIN1NR1H4DEGS1MEN1KMT2A | |
| SCHEMBL7789989 | 0.83 | NR1H4 (0.58) | PIN1NR1H4DEGS1MEN1KMT2A | |
| SCHEMBL7789327 | 0.81 | ALDH1A1 (0.57) | PIN1ROCK2RPS6KA5RPS6KA4PRKACA |
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 |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |