Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.32 |
| ▸ | HTR1A | P08908 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843604 | 0.83 | ALDH1A1 (0.35) | ALDH1A1GABRA1GABRB2ADRA2CADRA2A | |
| SCHEMBL12848969 | 0.73 | GABRA1 (0.42) | ALDH1A1GABRA1GABRB2ADRA2CADRA2A | |
| SCHEMBL9162741 | 0.73 | FFAR4 (0.37) | ALDH1A1MAPTTSHR | |
| SCHEMBL704598 | 0.73 | CA4 (0.42) | KCNH2KDM4EMAPTLMNATSHR | |
| SCHEMBL723201 | 0.71 | GABRA1 (0.38) | ALDH1A1GABRA1GABRB2ADRA2CADRA2A | |
| SCHEMBL8961880 | 0.71 | ALDH1A1 (0.43) | ALDH1A1ADRA2CADRA2AADRA2BHTR1A | |
| SCHEMBL3772407 | 0.71 | GABRA1 (0.40) | ALDH1A1GABRA1GABRB2ADRA2CADRA2A | |
| SCHEMBL9161549 | 0.70 | CYP3A4 (0.33) | ALDH1A1TSHR | |
| SCHEMBL8961911 | 0.69 | ALDH1A1 (0.44) | ALDH1A1ADRA2CADRA2AADRA2BHTR1A | |
| SCHEMBL7133959 | 0.68 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTCYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0417439-A2 | Silyl derivatives of 2-allyl phenol | Aristech Chemical Corporation (US) | 1991-03-20 | — | — | EP | claimed |
| US-4970329-A | Silyl derivatives of 2-allyl phenol | ARISTECH CHEMICAL CORPORATION (US) | 1990-11-13 | — | — | US | claimed |
| EP-0417439-A2 | Silyl derivatives of 2-allyl phenol | Aristech Chemical Corporation (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4970329-A | Silyl derivatives of 2-allyl phenol | ARISTECH CHEMICAL CORPORATION (US) | 1990-11-13 | — | — | US | disclosed |