Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11098487 | 0.85 | ALDH1A1 (0.41) | RXRBRXRARXRGALDH1A1SRD5A2 | |
| SCHEMBL11096052 | 0.77 | AKR1C3 (0.43) | ALDH1A1SRD5A2SRD5A1 | |
| SCHEMBL11015563 | 0.77 | ALDH1A1 (0.42) | ALDH1A1SRD5A2SRD5A1 | |
| SCHEMBL9778275 | 0.77 | MAPT (0.46) | ALDH1A1SRD5A2SRD5A1 | |
| SCHEMBL9681571 | 0.76 | SRD5A2 (0.54) | RXRAALDH1A1SRD5A2SRD5A1 | |
| SCHEMBL20680969 | 0.75 | RXRA (0.57) | RXRBRXRARXRGALDH1A1FFAR1 | |
| SCHEMBL30263704 | 0.75 | RXRA (0.57) | RXRBRXRARXRGALDH1A1FFAR1 | |
| SCHEMBL10502811 | 0.75 | SRD5A2 (0.39) | RXRBRXRARXRGALDH1A1APEX1 | |
| SCHEMBL10502889 | 0.74 | ALDH1A1 (0.62) | RXRBRXRARXRGALDH1A1SRD5A2 | |
| SCHEMBL11011489 | 0.72 | NPC1 (0.46) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0138533-B1 | 6H-DIBENZ(B,F)THIEPIN COMPOUNDS | MERCK FROSST CANADA INC. (CA) | 1989-04-12 | — | — | EP | disclosed |
| US-4622403-A | ALLERGIC CONDITIONS | MERCK FROSST CANADA, INC. (CA) | 1986-11-11 | — | — | US | disclosed |
| EP-0138533-A2 | 6H-dibenz(b,f)thiepin compounds | MERCK FROSST CANADA INC. (CA) | 1985-04-24 | — | — | EP | disclosed |