Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9232926 | 0.93 | CHRNB2 (0.46) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL28286303 | 0.92 | CYP1A2 (0.59) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL29686646 | 0.91 | CHRNB2 (0.49) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL28327491 | 0.90 | CYP1A2 (0.44) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL28598543 | 0.87 | CYP1A2 (0.52) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL16191148 | 0.87 | CA1 (0.46) | CYP1A2CA1CA2CA4NOS1 | |
| SCHEMBL28683282 | 0.86 | CHRNB2 (0.45) | CYP1A2CA1CA2CA4CHRNB2 | |
| SCHEMBL28485961 | 0.84 | CYP1A2 (0.50) | CYP1A2CA1CA2CA4DPP4 | |
| SCHEMBL13444681 | 0.84 | CA1 (0.58) | CYP1A2CA1CA2CA4NOS1 | |
| SCHEMBL19339159 | 0.83 | CYP1A2 (0.50) | CYP1A2CA1CA2CA4DPP4 |
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-5759528-A | AMINE OXIDE SURFACTANT AND CYCLOHEXANE, CYCLOHEXENE OR CYCLOHEXANONE DERIVATIVE | INSTITUTE FOR ADVANCED SKIN RESEARCH, INC. (JP) | 1998-06-02 | — | — | US | disclosed |
| EP-0745389-A1 | COMPOSITION FOR TOPICAL APPLICATION | INSTITUTE FOR ADVANCED SKIN RESEARCH INC. (JP) | 1996-12-04 | — | — | EP | disclosed |