Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25312495 | 0.88 | FFAR3 (0.40) | TDP1FFAR3ALDH1A1CES2CES1 | |
| SCHEMBL11512066 | 0.88 | FFAR3 (0.40) | TDP1FFAR3ALDH1A1CES2CES1 | |
| SCHEMBL13868000 | 0.88 | FFAR3 (0.40) | TDP1FFAR3ALDH1A1CES2CES1 | |
| SCHEMBL11001497 | 0.86 | TSHR (0.39) | TDP1FFAR3ALDH1A1CES1THRB | |
| SCHEMBL11001494 | 0.86 | TSHR (0.39) | TDP1FFAR3ALDH1A1CES1THRB | |
| SCHEMBL9786672 | 0.84 | TDP1 (0.30) | TDP1FFAR3ALDH1A1 | |
| SCHEMBL9786626 | 0.80 | — | — | |
| SCHEMBL22774906 | 0.80 | ALDH1A1 (0.32) | TDP1ALDH1A1 | |
| SCHEMBL9786621 | 0.80 | — | — | |
| SCHEMBL22213919 | 0.80 | ALDH1A1 (0.32) | TDP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4459413-A | Process for preparing 5-imidazolyl ketones | AMERICAN CYANAMID COMPANY (US) | 1984-07-10 | — | — | US | disclosed |
| US-4395547-A | Process for preparing 1-substituted-6-n-propyl-8-methylimidazo[1,5-d]-as-triazin-4(3H)-ones | AMERICAN CYANAMID CO. (US) | 1983-07-26 | — | — | US | disclosed |