Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16832720 | 0.85 | ALDH1A1 (0.66) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL5769460 | 0.83 | GAA (0.57) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL14124979 | 0.81 | ALDH1A1 (0.53) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL14124983 | 0.81 | ALDH1A1 (0.50) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL13626341 | 0.81 | ALDH1A1 (0.50) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL14124978 | 0.76 | MAPK1 (0.57) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL14124974 | 0.74 | ALDH1A1 (0.49) | CYP3A4ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL12235662 | 0.74 | MEN1 (0.56) | ALDH1A1MEN1KMT2ASMN1; SMN2POLB | |
| SCHEMBL16832611 | 0.74 | LMNA (0.57) | CYP3A4ALDH1A1SMN1; SMN2GAAPOLB | |
| SCHEMBL16832686 | 0.73 | LMNA (0.63) | CYP3A4ALDH1A1HTTKMT2ASMN1; SMN2 |
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-2009140451-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2009-11-19 | — | — | WO | disclosed |