Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL16024 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL3228263 | 0.84 | TSHR (0.42) | ALDH1A1TDP1TSHRCHRM2CHRM4 | |
| SCHEMBL17471374 | 0.80 | TSHR (0.40) | ALDH1A1TDP1TSHRCHRM2CHRM4 | |
| SCHEMBL5183383 | 0.79 | TDP1 (0.42) | ALDH1A1TDP1TSHRCHRM2CHRM4 | |
| Methyl Isobutyl Ketone SCHEMBL31142142 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TDP1TSHRCHRM2CHRM4 | |
| SCHEMBL3612870 | 0.76 | TSHR (0.40) | TDP1TSHRCHRM2CHRM4CHRM1 | |
| Methyl Isobutyl Ketone SCHEMBL28093980 | 0.76 | TSHR (0.67) | ALDH1A1TDP1TSHRCHRM2CHRM4 | |
| Methyl Isobutyl Ketone SCHEMBL9014051 | 0.75 | ALDH1A1 (0.74) | ALDH1A1TDP1TSHRMMP1MMP2 | |
| Methyl Isobutyl Ketone SCHEMBL28232965 | 0.75 | ALDH1A1 (0.82) | ALDH1A1TDP1TSHRMMP1MMP2 | |
| SCHEMBL315270 | 0.75 | TSHR (0.48) | ALDH1A1TDP1TSHRCHRM2CHRM4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0404895-A4 | SILICONE MODIFIED POLYURETHANES | — | 1991-05-15 | — | — | EP | disclosed |
| EP-0404895-A1 | SILICONE MODIFIED POLYURETHANES | BRAMITE LIMITED (AU) | 1991-01-02 | — | — | EP | disclosed |
| WO-1990006958-A1 | SILICONE MODIFIED POLYURETHANES | BRAMITE LIMITED (AU) | 1990-06-28 | — | — | WO | disclosed |