Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12744307 | 0.81 | ALDH1A1 (0.78) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL1167951 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL17604274 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL10888793 | 0.79 | MMP8 (0.46) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL3110474 | 0.78 | TDP1 (0.56) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL11514661 | 0.78 | TSHR (0.48) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL11173870 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL29008517 | 0.76 | MAPT (0.54) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL9601332 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL9335465 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRTDP1CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4596891-A | PHENYL-N,N'-DIETHYLETHYLENE DIAMINES | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1986-06-24 | — | — | US | disclosed |
| US-4286983-A | INCLUDING COMPOUNDS OF THE N-PHENYL-N',N'-DIETHYL ALKYLENEDIAMINE TYPE | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1981-09-01 | — | — | US | disclosed |