Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | VHL | P40337 | 1/20 | 0.37 |
| ▸ | ELOC | Q15369 | 1/20 | 0.37 |
| ▸ | ELOB | Q15370 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8214784 | 0.81 | ALDH1A1 (0.65) | NOS3NOS1CHKAALDH1A1CYP4F2 | |
| SCHEMBL7675448 | 0.80 | ESR1 (0.62) | TSHRALDH1A1CA2LTA4HESR1 | |
| SCHEMBL27576975 | 0.78 | GFER (0.59) | NOS3NOS1TSHRALDH1A1 | |
| SCHEMBL7946947 | 0.78 | TAAR1 (0.50) | ALDH1A1FFAR1 | |
| SCHEMBL9253136 | 0.78 | TAAR1 (0.50) | FFAR1 | |
| SCHEMBL28026743 | 0.78 | TAAR1 (0.50) | ALDH1A1FFAR1 | |
| SCHEMBL7539245 | 0.78 | CHKA (0.58) | NOS3NOS1CHKATSHRPRSS1 | |
| SCHEMBL16274 | 0.77 | ALDH1A1 (0.67) | ALDH1A1CA2FFAR1CA1HSD17B10 | |
| SCHEMBL6096653 | 0.75 | F2RL1 (0.63) | ALDH1A1FFAR1F2RL1 | |
| SCHEMBL12354595 | 0.74 | F2RL1 (0.53) | ALDH1A1CYP4F2CYP4A11FFAR1F2RL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1646508-A | 5-substituted 1, 1-dioxo-1, 2, 5-thiadiazolidin-3-one derivatives as PTP-1B inhibitors | NOVARTIS AG (CH) | 2005-07-27 | — | — | CN | disclosed |