Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL10817128 | 0.79 | CYP2D6 (0.42) | CA2ALDH1A1LMNASMN1; SMN2HTT | |
| Trifluoroacetic Acid SCHEMBL11226934 | 0.78 | CES1 (0.46) | CA2CES2CES1TDP1 | |
| Toliodium SCHEMBL10907987 | 0.78 | CA2 (0.40) | CA2MAPTALDH1A1CES2CES1 | |
| Trifluoroacetic Acid SCHEMBL3285168 | 0.78 | MAPT (0.41) | CA2MAPTALDH1A1CES2CES1 | |
| Trifluoroacetic Acid SCHEMBL29564782 | 0.78 | CA2 (0.40) | CA2MAPTALDH1A1CES2CES1 | |
| Perchlorate SCHEMBL11055985 | 0.77 | ALDH1A1 (0.39) | MAPTALDH1A1CES2CES1LMNA | |
| Perchlorate SCHEMBL11053184 | 0.75 | ALDH1A1 (0.38) | MAPTALDH1A1CES2CES1LMNA | |
| Trifluoroacetic Acid SCHEMBL16700754 | 0.73 | HTT (0.39) | CA2MAPTCES2CES1LMNA | |
| Trifluoroacetic Acid SCHEMBL7057195 | 0.73 | TPMT (0.42) | CA2MAPTALDH1A1LMNAMEN1 | |
| Trifluoroacetic Acid SCHEMBL16700556 | 0.72 | HTT (0.46) | CA2CES2CES1HTTNPSR1 |
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-4490552-A | Preparation of aryl esters by decomposing an aryl thallium carboxylate | RUTGERSWERKE AG (DE) | 1984-12-25 | — | — | US | disclosed |
| US-4093647-A | Process for oxycarbonylation of aromatic hydrocarbons | SUNTECH, INC. (US) | 1978-06-06 | — | — | US | disclosed |