Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 5/20 | 0.33 |
| ▸ | THRB | P10828 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.30 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27895753 | 0.94 | TAS1R3 (0.35) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL3356359 | 0.78 | CA1 (0.40) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL609878 | 0.78 | CA1 (0.40) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL3357120 | 0.78 | CA1 (0.40) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| Heptane SCHEMBL11256407 | 0.74 | ALDH1A1 (0.58) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL3995399 | 0.72 | CA1 (0.39) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL9838337 | 0.72 | TAS1R3 (0.39) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL9717991 | 0.72 | TAS1R3 (0.39) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL28901186 | 0.72 | TAS1R3 (0.39) | CA1CA2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL9838748 | 0.72 | TAS1R3 (0.39) | CA1CA2ALDH1A1TAS1R3TAS1R1 |
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-2020196886-A1 | CONJUGATED DIENE COPOLYMER AND METHOD FOR MANUFACTURING CONJUGATED DIENE COPOLYMER | ＺＳエラストマー株式会社 | 2020-10-01 | — | — | WO | disclosed |