Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11670929 | 0.87 | KDM4E (0.61) | CYP1A2ALDH1A1CYP2C19KDM4EALOX15 | |
| SCHEMBL15318323 | 0.79 | CYP1A2 (0.77) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL10676903 | 0.77 | ADRB2 (0.51) | KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL14067280 | 0.76 | CYP1A2 (0.62) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL6894985 | 0.76 | CYP1A2 (0.55) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL3348729 | 0.76 | CYP1A2 (0.55) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL1921574 | 0.76 | HRH3 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL3422911 | 0.75 | ALDH1A1 (1.00) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL7355001 | 0.75 | CYP1A2 (0.57) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E | |
| SCHEMBL1392847 | 0.74 | CHRM2 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4021539-A | Skin treating cosmetic compositions containing N-polyhydroxyalkyl-amines | HENKEL & CIE G.M.B.H. (DT) | 1977-05-03 | — | — | US | disclosed |