Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.64 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.64 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.64 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.64 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.64 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.64 |
| ▸ | PIN1 | Q13526 | 8/20 | 0.60 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789870 | 0.86 | PIN1 (0.60) | NR1H4PIN1ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL7789871 | 0.86 | PIN1 (0.60) | NR1H4PIN1ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL7789993 | 0.84 | NR1H4 (0.62) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL14894197 | 0.83 | NR1H4 (0.85) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7787818 | 0.83 | OPRK1 (0.61) | HDAC2HDAC8HDAC6PIN1ROCK2 | |
| SCHEMBL7787816 | 0.83 | OPRK1 (0.61) | HDAC2HDAC8HDAC6PIN1ROCK2 | |
| SCHEMBL6943275 | 0.82 | NR1H4 (0.60) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7782138 | 0.82 | NPC1 (0.59) | NR1H4PIN1ROCK2RPS6KA5RPS6KA4 | |
| SCHEMBL7789811 | 0.82 | PIN1 (0.55) | PIN1ROCK2RPS6KA5RPS6KA4PRKACA | |
| SCHEMBL7789810 | 0.82 | PIN1 (0.55) | 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 |