Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.54 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | WDR5 | P61964 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LDHA | P00338 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ATIC | P31939 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL29599305 | 0.91 | ALDH1A1 (0.52) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| SCHEMBL2154872 | 0.91 | ALDH1A1 (0.52) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| SCHEMBL30838413 | 0.88 | NR4A1 (0.65) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| SCHEMBL28798 | 0.88 | NR4A1 (0.65) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| SCHEMBL29406630 | 0.88 | NR4A1 (0.65) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| SCHEMBL30838412 | 0.88 | NR4A1 (0.65) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL4429797 | 0.85 | NR4A1 (0.62) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL3358028 | 0.85 | NR4A1 (0.62) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| SCHEMBL31436579 | 0.85 | NR4A1 (0.62) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 | |
| Fluoride SCHEMBL21331927 | 0.85 | NR4A1 (0.62) | NR4A1NR4A2NR4A3ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102858778-B | Heterobiaryl-cyclohexyl-tetrazine is [e] Azulene also | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-26 | — | — | CN | disclosed |