Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL83274 | 0.85 | CYP3A4 (0.41) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL27897032 | 0.83 | CYP3A4 (0.35) | ALDH1A1CYP3A4TDP1ALOX15CASP1 | |
| SCHEMBL29449359 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL1278360 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL28074701 | 0.80 | CD44 (0.43) | ALDH1A1CYP3A4TSHRTDP1CD44 | |
| Methyl Alcohol SCHEMBL27475139 | 0.79 | CYP3A4 (0.36) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| Fluoromethane SCHEMBL27860810 | 0.79 | CYP3A4 (0.36) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL31207304 | 0.78 | CD44 (0.40) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL17739024 | 0.77 | LOXL2 (0.35) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL7547509 | 0.76 | ALDH1A1 (0.34) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011111054-A1 | IMPROVED HAIR DYE COMPOSITION | CAVINKARE PVT. LTD, (IN) | 2011-09-15 | — | — | WO | disclosed |