Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
| ▸ | CAPN1 | P07384 | 6/20 | 0.59 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789989 | 0.85 | NR1H4 (0.58) | NR1H4CAPN1PIN1 | |
| SCHEMBL7789992 | 0.85 | NR1H4 (0.58) | NR1H4CAPN1PIN1 | |
| SCHEMBL7786980 | 0.84 | NR1H4 (0.65) | NR1H4HDAC2HDAC3HDAC1HDAC8 | |
| SCHEMBL7790058 | 0.82 | POLB (0.58) | CAPN1CASP1 | |
| SCHEMBL7790060 | 0.82 | POLB (0.58) | CAPN1CASP1 | |
| SCHEMBL7790056 | 0.82 | CAPN1 (0.74) | CAPN1PIN1 | |
| SCHEMBL14894197 | 0.82 | NR1H4 (0.85) | NR1H4HDAC2HDAC3HDAC1HDAC8 | |
| SCHEMBL7787801 | 0.81 | CAPN1 (0.58) | CAPN1PIN1PPARG | |
| SCHEMBL7789863 | 0.81 | CAPN1 (0.72) | CAPN1PIN1 | |
| SCHEMBL7789862 | 0.81 | CAPN1 (0.72) | CAPN1PIN1 |
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 |