Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | GPR39 | O43194 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6068579 | 0.82 | SMPD3 (0.46) | SMPD3SIGMAR1DHFRGPR39DRD2 | |
| SCHEMBL6068582 | 0.78 | SMPD3 (0.47) | SMPD3SIGMAR1DHFRGPR39NPC1 | |
| SCHEMBL6068358 | 0.72 | SMPD3 (0.38) | SMPD3SIGMAR1DRD2HTR2AREN | |
| SCHEMBL6068356 | 0.72 | MAP4K4 (0.37) | SMPD3 | |
| SCHEMBL6068645 | 0.69 | — | — | |
| SCHEMBL5416786 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL22623899 | 0.66 | DRD2 (0.57) | SIGMAR1ALDH1A1DRD2DRD1DRD4 | |
| SCHEMBL23368579 | 0.65 | MEN1 (0.56) | SMPD3DHFRNPC1RAB9ACYP1A2 | |
| SCHEMBL6068366 | 0.64 | SMPD3 (0.39) | SMPD3 | |
| SCHEMBL31259871 | 0.64 | SMPD3 (1.00) | SMPD3DHFR |
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-7091350-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2006-08-15 | — | — | US | disclosed |