Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6922536 | 0.94 | HDAC1 (0.56) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| SCHEMBL9446230 | 0.89 | NR3C2 (0.59) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| SCHEMBL6171116 | 0.87 | CYP3A4 (0.46) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| SCHEMBL28376324 | 0.87 | ESR1 (0.50) | HDAC1HDAC8HDAC6TSHRHTT | |
| SCHEMBL918512 | 0.87 | NR3C2 (0.56) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| Bromide SCHEMBL4613403 | 0.84 | NR3C2 (0.55) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| SCHEMBL6927897 | 0.83 | HDAC1 (0.48) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| SCHEMBL1702260 | 0.83 | NR3C2 (0.54) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| Ethylene SCHEMBL11428459 | 0.82 | NR3C2 (0.53) | NR3C2HDAC1HDAC8HDAC6TSHR | |
| SCHEMBL9215401 | 0.82 | HDAC1 (0.60) | NR3C2HDAC1HDAC8HDAC6TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5196606-A | Aromatic tertiary amines, enamines, deoxybenzoins and benzils | HAY ALLAN S (CA) | 1993-03-23 | — | — | US | disclosed |
| US-5117062-A | Aromatic tertiary amines, enamines, deoxybenzoins and benzils | HAY ALLAN S (CA) | 1992-05-26 | — | — | US | disclosed |
| US-5011998-A | Aromatic tertiary amines, enamines, deoxybenzoins and benzils | HAY ALLAN S (CA) | 1991-04-30 | — | — | US | disclosed |