Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27727240 | 0.85 | CYP1A2 (0.40) | ALDH1A1LMNATSHRCYP1A2THRB | |
| Butyl Alcohol SCHEMBL12520496 | 0.80 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Ethylene Glycol SCHEMBL9597725 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TSHRCYP1A2CYP2D6 | |
| Butyl Alcohol SCHEMBL8518314 | 0.76 | — | — | |
| Cyclohexane SCHEMBL9176296 | 0.76 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL27592363 | 0.76 | — | — | |
| Butyl Alcohol SCHEMBL17161312 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Butyl Alcohol SCHEMBL8517730 | 0.74 | — | — | |
| Butyl Alcohol SCHEMBL27528881 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| Cyclopentanol SCHEMBL9800391 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1714112-A | Blocked polyisocyanates which are stable to curing | BAYER MATERIALSCIENCE AG (DE) | 2005-12-28 | — | — | CN | disclosed |
| US-20040097687-A1 | Blocked polyisocyanates that are stable to solidification | BAYER AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |