Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | GMNN | O75496 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.60 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.60 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.59 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.59 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.59 |
| ▸ | THRA | P10827 | 4/20 | 0.54 |
| ▸ | THRB | P10828 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL846128 | 0.86 | ALDH1A1 (0.57) | ALDH1A1MAPTGMNNLMNACYP2D6 | |
| SCHEMBL11587450 | 0.85 | S1PR1 (0.57) | ALDH1A1MAPTS1PR1S1PR3S1PR2 | |
| SCHEMBL9972487 | 0.84 | ALDH1A1 (0.60) | ALDH1A1MAPTLMNAHIF1AS1PR1 | |
| SCHEMBL9169757 | 0.84 | ALDH1A1 (0.60) | ALDH1A1MAPTLMNAHIF1AS1PR1 | |
| SCHEMBL9124012 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPTGMNNLMNACYP2D6 | |
| SCHEMBL25466693 | 0.82 | KCNH2 (0.56) | ALDH1A1LMNAHIF1ATHRATHRB | |
| SCHEMBL25170021 | 0.82 | S1PR1 (0.71) | ALDH1A1MAPTTSHRS1PR1S1PR3 | |
| SCHEMBL879250 | 0.82 | S1PR1 (0.71) | ALDH1A1MAPTTSHRS1PR1S1PR3 | |
| SCHEMBL25167617 | 0.82 | S1PR1 (0.71) | ALDH1A1MAPTTSHRS1PR1S1PR3 | |
| SCHEMBL20854085 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAPTLMNAHIF1AS1PR1 |
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-0474431-B1 | Amphiphilic compounds for sequential monolayer deposition | ICI PLC (GB) | 1996-03-06 | — | — | EP | disclosed |
| US-5275924-A | Non-centrosymmetric; hydrophobic; chromophores | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-01-04 | — | — | US | disclosed |
| EP-0474431-A1 | Amphiphilic compounds for sequential monolayer deposition | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-11 | — | — | EP | disclosed |