Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL20420877 | 0.84 | CA2 (0.46) | CES1CA2CA4HDAC6TDP1 | |
| Trichloroacetic Acid SCHEMBL23088971 | 0.83 | CYP1A2 (0.40) | CES1CA2CA4CES2 | |
| Acetic Acid SCHEMBL17892007 | 0.79 | HSD17B10 (0.44) | CES1CA2CA4TDP1CES2 | |
| Trifluoroacetic Acid SCHEMBL10946380 | 0.77 | CES1 (0.48) | CES1CA2CA4PTPN1FAAH | |
| Trifluoroacetic Acid SCHEMBL11226934 | 0.76 | CES1 (0.46) | CES1CA2CA4PTPN1FAAH | |
| Trifluoroacetic Acid SCHEMBL30358955 | 0.76 | CES1 (0.46) | CES1CA2CA4PTPN1FAAH | |
| Trifluoroacetic Acid SCHEMBL8055878 | 0.74 | TDP1 (0.52) | CES1CA2CA4PTPN1FAAH | |
| Trifluoroacetic Acid SCHEMBL10925867 | 0.74 | CES1 (0.45) | CES1CA2CA4PTPN1FAAH | |
| Trifluoroacetic Acid SCHEMBL107133 | 0.74 | CES1 (0.45) | CES1CA2CA4PTPN1FAAH | |
| Chloroacetic Acid SCHEMBL3131637 | 0.74 | ALDH1A1 (0.45) | CES1CA2CA4PTPN1HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001007409-A1 | CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS | ASTRAZENECA UK LIMITED (GB) | 2001-02-01 | — | — | WO | disclosed |