Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL773469 | 1.00 | CES2 (0.41) | CES2CES1TRPA1DPP4TSHR | |
| SCHEMBL8728321 | 0.78 | ALDH1A1 (0.33) | CES2CES1TRPA1TSHRALDH1A1 | |
| SCHEMBL10590024 | 0.78 | CES2 (0.44) | CES2CES1TRPA1DPP4TSHR | |
| SCHEMBL28477107 | 0.77 | CYP2A6 (0.40) | DPP4ALDH1A1HSD17B10HTR2ACYP2D6 | |
| SCHEMBL14321447 | 0.77 | IDO1 (0.39) | ALDH1A1HSD17B10 | |
| SCHEMBL14321076 | 0.75 | CHRNA7 (0.39) | TSHRALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL5866912 | 0.75 | GSK3B (0.35) | ALDH1A1HSD17B10 | |
| SCHEMBL14321453 | 0.75 | TSHR (0.44) | TSHRALDH1A1HSD17B10 | |
| SCHEMBL29488208 | 0.75 | HDAC4 (0.42) | CES2CES1 | |
| SCHEMBL14321085 | 0.75 | HDAC4 (0.42) | CES2CES1 |
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-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |