Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 6/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11310264 | 0.84 | ALDH1A1 (0.43) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL965675 | 0.81 | PRSS1 (0.43) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL10452384 | 0.80 | LIPG (0.45) | CYSLTR2CYSLTR1LIPGTHRATHRB | |
| SCHEMBL29019756 | 0.77 | ALDH1A1 (0.51) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL7167553 | 0.77 | HTR2A (0.43) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL29663716 | 0.76 | HTR2A (0.42) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL30229492 | 0.76 | HTR2A (0.42) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL9557544 | 0.72 | LIPG (0.49) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL9680464 | 0.72 | LIPG (0.41) | CYSLTR2CYSLTR1LIPGTHRATHRB | |
| SCHEMBL28546044 | 0.71 | TSHR (0.41) | ALDH1A1CYP3A4LMNAMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018088919-A1 | METHOD FOR PRODUCING MODIFIED POLYDIENES, MODIFIED POLYDIENES PRODUCED THEREBY, AND RUBBER MIXTURES BASED ON THE PRODUCED MODIFIED POLYDIENES | PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) | 2018-05-17 | — | — | WO | disclosed |