Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL6874429 | 0.74 | FFAR3 (0.41) | TDP1FFAR3ALDH1A1CES2CES1 | |
| SCHEMBL29013295 | 0.72 | ALDH1A1 (0.39) | TDP1FFAR3ALDH1A1 | |
| SCHEMBL29186273 | 0.67 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL429486 | 0.65 | — | — | |
| SCHEMBL30087128 | 0.65 | ALDH1A1 (0.40) | TDP1ALDH1A1 | |
| SCHEMBL27291347 | 0.65 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL4832765 | 0.65 | FFAR3 (0.33) | FFAR3 | |
| SCHEMBL149763 | 0.59 | ALDH1A1 (0.41) | TDP1FFAR3ALDH1A1CES2CES1 | |
| SCHEMBL3230735 | 0.59 | HSD17B10 (0.32) | TDP1 | |
| Bicarbonate SCHEMBL1127897 | 0.56 | FFAR3 (0.58) | TDP1FFAR3ALDH1A1CES2CES1 |
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-0378318-A1 | Process for synthesis of FK-506 and tricarbonyl intermediates | MERCK & CO. INC. (US) | 1990-07-18 | — | — | EP | claimed |
| US-5446158-A | Process for synthesis of FK-506 and tricarbonyl intermediates | MERCK & CO., INC. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0378318-A1 | Process for synthesis of FK-506 and tricarbonyl intermediates | MERCK & CO. INC. (US) | 1990-07-18 | — | — | EP | disclosed |