Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20677265 | 0.72 | AOC3 (0.47) | ALDH1A1TSHRLMNAGAAAOC3 | |
| SCHEMBL6534426 | 0.71 | CARM1 (0.46) | ALDH1A1TSHRLMNAGAAAOC3 | |
| SCHEMBL19712128 | 0.70 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNAAOC3NPC1 | |
| SCHEMBL9804706 | 0.68 | TSHR (0.54) | ALDH1A1TSHRLMNAAOC3NPC1 | |
| SCHEMBL31093195 | 0.68 | HDAC3 (0.44) | ALDH1A1TSHRLMNAGAANPC1 | |
| Styrene SCHEMBL15142056 | 0.68 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4 | |
| SCHEMBL20343348 | 0.68 | ALDH1A1 (0.40) | ALDH1A1TSHRGAAAOC3NPC1 | |
| SCHEMBL28280605 | 0.67 | TSHR (0.48) | ALDH1A1TSHRLMNAAOC3NPC1 | |
| SCHEMBL1073587 | 0.67 | CES1 (0.46) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| Benzene SCHEMBL28149238 | 0.67 | CES1 (0.46) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3159346-A1 | AMINOSILANE-FUNCTIONALIZED DIENES FOR USE IN FUNCTIONALIZATION OF ELASTOMERIC POLYMERS | Trinseo Europe GmbH (CH) | 2017-04-26 | — | — | EP | disclosed |