Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102314 | 0.84 | TSHR (0.47) | TSHRALDH1A1LMNAL3MBTL1TDP1 | |
| SCHEMBL5597611 | 0.83 | TSHR (0.56) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL8455288 | 0.82 | ALDH1A1 (0.57) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL15919227 | 0.80 | TSHR (0.47) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL5597642 | 0.79 | TSHR (0.55) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL16044537 | 0.79 | TSHR (0.81) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL3307119 | 0.78 | SLC6A2 (0.48) | TSHRALDH1A1LMNASLC6A3MEN1 | |
| Water SCHEMBL27487586 | 0.77 | TSHR (0.59) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL8204509 | 0.76 | TSHR (0.48) | TSHRCYP3A4MAPK1TP53ALDH1A1 | |
| SCHEMBL28517511 | 0.76 | TSHR (0.56) | TSHRCYP3A4MAPK1TP53ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0782982-B1 | Process for the preparation of o-chloro-methyl-phenylglyoxylic acid derivatives | NOVARTIS AG (CH) | 2000-05-17 | — | — | EP | disclosed |
| US-5756811-A | Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives | NOVARTIS CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0782982-A1 | Process for the preparation of o-chloro-methyl-phenylglyoxylic acid derivatives | Novartis AG (CH) | 1997-07-09 | — | — | EP | disclosed |