Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8920031 | 0.84 | ALDH1A1 (0.36) | ALDH1A1LMNATHRBTSHRMAPK1 | |
| SCHEMBL5423046 | 0.83 | ALDH1A1 (0.37) | ALDH1A1LMNACNR1CNR2KMT2A | |
| SCHEMBL1076637 | 0.80 | ALDH1A1 (0.37) | ALDH1A1LMNATHRBTSHRMAPK1 | |
| SCHEMBL8924099 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPK1KMT2AHTT | |
| SCHEMBL2930475 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1LMNATHRBTSHRMAPK1 | |
| SCHEMBL8922319 | 0.78 | MAPT (0.43) | ALDH1A1LMNATHRBMAPK1CNR1 | |
| SCHEMBL4601226 | 0.78 | POLB (0.46) | ALDH1A1LMNAMAPK1KMT2AHTT | |
| SCHEMBL1074374 | 0.77 | PKM (0.40) | ALDH1A1LMNATHRBTSHRMAPK1 | |
| SCHEMBL2929120 | 0.77 | HTT (0.36) | ALDH1A1LMNATHRBTSHRMAPK1 | |
| SCHEMBL8919153 | 0.77 | ALDH1A1 (0.39) | ALDH1A1LMNATHRBTSHRMAPK1 |
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-5663366-A | Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair | WELLA AKTIENGESELLSCHAT (DE) | 1997-09-02 | — | — | US | disclosed |