Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL17329398 | 0.87 | ALDH1A1 (0.36) | ALDH1A1ADRB2ADRB1LMNAHTR1A | |
| SCHEMBL10985617 | 0.86 | SMPD2 (0.39) | — | |
| SCHEMBL5140350 | 0.82 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL18493237 | 0.78 | ALDH1A1 (0.44) | ALDH1A1LMNASLC6A2SLC6A4CYP1A2 | |
| SCHEMBL11329100 | 0.77 | CYP2D6 (0.47) | ALDH1A1LMNAADRA2CSLC6A2SLC6A4 | |
| SCHEMBL187720 | 0.77 | SLC6A4 (0.44) | ALDH1A1LMNASLC6A2SLC6A4CYP2D6 | |
| SCHEMBL10984140 | 0.77 | ALOX15 (0.35) | ALDH1A1LMNASLC6A2SLC6A4KCNH2 | |
| SCHEMBL11438913 | 0.76 | HSPA5 (0.46) | HTR1ACYP2D6TSHR | |
| SCHEMBL6025866 | 0.76 | ALDH1A1 (0.39) | ALDH1A1ADRB2ADRB1LMNAHTR1A | |
| SCHEMBL997695 | 0.76 | TSHR (0.46) | ALDH1A1LMNACYP1A2CYP2D6TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4543216-A | REACTING A VINYL BENZYL HALIDE WITH AN AMINO ACID OR AMINO SULFONIC ACID | NIPPON PAINT CO., LTD. (JP) | 1985-09-24 | — | — | US | disclosed |
| US-4452746-A | TO MODIFY PROPERTIES OF HIGH MOLECULAR WEIGHT COMPOUNDS | NIPPON PAINT CO., LTD. (JP) | 1984-06-05 | — | — | US | disclosed |