Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.53 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1190834 | 0.95 | TSHR (0.57) | GAADHODHTSHRALDH1A1MEN1 | |
| Water SCHEMBL27470138 | 0.93 | TSHR (0.55) | GAADHODHTSHRALDH1A1MEN1 | |
| Dimethylamine SCHEMBL8685908 | 0.85 | TSHR (0.56) | TSHRALDH1A1MEN1KMT2ARAB9A | |
| Dimethylamine SCHEMBL3307126 | 0.84 | NPC1 (0.46) | TSHRALDH1A1MEN1KMT2ARAB9A | |
| Water SCHEMBL8823086 | 0.83 | TSHR (0.52) | GAADHODHTSHRALDH1A1MEN1 | |
| SCHEMBL7869091 | 0.81 | ALDH1A1 (0.56) | GAADHODHTSHRALDH1A1MEN1 | |
| SCHEMBL7590865 | 0.81 | CYP3A4 (0.55) | GAADHODHTSHRALDH1A1MEN1 | |
| SCHEMBL4735018 | 0.80 | TSHR (0.60) | TSHRALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2705722 | 0.80 | NPC1 (0.49) | TSHRALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL8823100 | 0.79 | TSHR (0.47) | GAADHODHTSHRALDH1A1MEN1 |
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-6124493-A | Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives | NOVARTIS FINANCE CORPORATION (US) | 2000-09-26 | — | — | US | disclosed |
| US-5756811-A | Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives | NOVARTIS CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |