Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | LPL | P06858 | 1/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL92935 | 0.94 | LPL (0.52) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| SCHEMBL4623255 | 0.86 | EGFR (0.48) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| Methylamine SCHEMBL27540106 | 0.85 | TAAR1 (0.63) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| SCHEMBL15468969 | 0.82 | LPL (0.48) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| Alcohol SCHEMBL27952977 | 0.82 | LPL (0.57) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| Ethylbenzene SCHEMBL2592228 | 0.81 | TP53 (0.74) | SMN1; SMN2LPLLIPGALDH1A1TP53 | |
| SCHEMBL17954218 | 0.80 | CYP2A6 (0.52) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| SCHEMBL30879488 | 0.80 | LTA4H (0.65) | SMN1; SMN2LPLLIPGALDH1A1TRPA1 | |
| SCHEMBL22222995 | 0.79 | ESR1 (0.44) | TAAR1SMN1; SMN2PLAULPLLIPG | |
| Hydrogen Peroxide SCHEMBL28370411 | 0.78 | TP53 (0.69) | TAAR1SMN1; SMN2PLAULPLLIPG |
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-103435503-A | Preparation process of phenylephrine key intermediate 3-hydroxyl-alpha-(methylamine ethyl)-phenylcarbinol (dextro-laevo isomer) | JIANGSU BAOZONG & BAODA PHARMACHEM CO LTD | 2013-12-11 | — | — | CN | claimed |