Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 5/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1637292 | 0.82 | ALDH1A1 (0.44) | RELANFE2L2ALDH1A1CYP2A6TSHR | |
| SCHEMBL15048521 | 0.81 | RELA (0.54) | TRPA1RELANFE2L2ALDH1A1CYP2A6 | |
| Styrene SCHEMBL139395 | 0.81 | ALDH1A1 (0.61) | TRPA1NFE2L2ALDH1A1TSHRTP53 | |
| Styrene SCHEMBL11794937 | 0.81 | TRPA1 (0.69) | TRPA1RELANFE2L2ALDH1A1CYP2A6 | |
| Methoxymethane SCHEMBL28672347 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRTP53ALOX5PTGS1 | |
| SCHEMBL678625 | 0.81 | ALDH1A1 (0.58) | TRPA1RELANFE2L2TUBB1ALDH1A1 | |
| SCHEMBL28436 | 0.81 | ALDH1A1 (0.58) | TRPA1RELANFE2L2TUBB1ALDH1A1 | |
| SCHEMBL8527619 | 0.80 | RELA (0.49) | RELANFE2L2TUBB1ALDH1A1CYP2A6 | |
| Potassium SCHEMBL30719694 | 0.79 | ALDH1A1 (0.56) | TRPA1RELANFE2L2TUBB1ALDH1A1 | |
| Potassium SCHEMBL30719700 | 0.79 | ALDH1A1 (0.56) | TRPA1RELANFE2L2TUBB1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0413465-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-20 | — | — | EP | disclosed |
| EP-0405785-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-02 | — | — | EP | disclosed |