Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | PAM | P19021 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL6002404 | 0.87 | AKR1B1 (0.85) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL18210528 | 0.87 | AKR1B1 (0.85) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL2417581 | 0.87 | AKR1B1 (0.85) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL28102451 | 0.87 | AKR1B1 (0.85) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL27287946 | 0.85 | AKR1B1 (0.81) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL7799857 | 0.85 | AKR1B1 (0.81) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL1260881 | 0.84 | AKR1B1 (0.90) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL245917 | 0.84 | AKR1B1 (0.90) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL1459 | 0.84 | AKR1B1 (1.00) | AKR1B1TSHRGAAABCC4LMNA | |
| Phenylacetic Acid SCHEMBL13618842 | 0.84 | AKR1B1 (1.00) | AKR1B1TSHRGAAABCC4LMNA |
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-108473305-A | Dynamic reverse gas stack model for portable chemical detection devices to locate threats and point sources from effluent streams | 北德克萨斯大学 | 2018-08-31 | — | — | CN | disclosed |