Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL7908546 | 0.92 | ALDH1A1 (0.52) | ALDH1A1CYP1A2EPHX1ALOX5TSHR | |
| SCHEMBL7914648 | 0.82 | CA1 (0.39) | ALDH1A1NOS1NOS2 | |
| SCHEMBL10151503 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2NOS1NOS2EPHX1 | |
| SCHEMBL10825613 | 0.78 | — | — | |
| SCHEMBL11853458 | 0.76 | CA1 (0.34) | ALDH1A1NOS1NOS2 | |
| SCHEMBL11513898 | 0.74 | ALOX5 (0.67) | ALDH1A1CYP1A2ALOX5TSHRLMNA | |
| SCHEMBL23689122 | 0.74 | NOS1 (0.40) | ALDH1A1CYP1A2NOS1NOS2EPHX1 | |
| SCHEMBL18427479 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CYP1A2NOS1NOS2EPHX1 | |
| SCHEMBL13340747 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP1A2NOS1NOS2EPHX1 | |
| Methyl Alcohol SCHEMBL22499764 | 0.74 | CYP1A2 (0.46) | ALDH1A1CYP1A2NOS1NOS2EPHX1 |
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-6201137-B1 | CONTACTING CRUDE TETRAHYDROFURAN WITH MINERAL ACID SELECTED FROM THE GROUP CONSISTING OF NITRIC ACID, SULFURIC ACID, AND PHOSPHORIC ACID, THEN INSTANTLY DISTILLATING | HODOGAYA CHEMICAL CO., LTD. (JP) | 2001-03-13 | — | — | US | disclosed |