Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | ERN1 | O75460 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 4-Nitrocatechol SCHEMBL11765698 | 0.92 | TSHR (0.69) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL156909 | 0.92 | TSHR (0.69) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL1608536 | 0.92 | TSHR (0.69) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL4071135 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL28290085 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TSHRGPR35TP53HPGD | |
| 2,4-Dinitrophenol SCHEMBL16333671 | 0.85 | GPR35 (0.85) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL2977451 | 0.84 | GPR35 (0.60) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL2977452 | 0.84 | GPR35 (0.60) | ALDH1A1TSHRGPR35TP53HPGD | |
| Methoxymethane SCHEMBL28737078 | 0.83 | HSD17B10 (0.58) | ALDH1A1TSHRGPR35TP53HPGD | |
| 4-Nitrocatechol SCHEMBL30262908 | 0.82 | GPR35 (0.58) | ALDH1A1TSHRGPR35TP53HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103230389-A | Novel nitrocatechol derivatives having selectin ligand activity | REVOTAR BIOPHARMACEUTICALS AG | 2013-08-07 | — | — | CN | disclosed |
| CN-101374508-B | Novel nitrocatechol derivatives having selectin ligand activity | REVOTAR BIOPHARMACEUTICALS AG | 2013-04-24 | — | — | CN | disclosed |
| CN-101374508-A | Novel nitrocatechol derivatives having selectin ligand activity | REVOTAR BIOPHARMACEUTICALS AG (DE) | 2009-02-25 | — | — | CN | disclosed |