Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL11853458 | 0.92 | CA1 (0.34) | CA1CA2CA4ALDH1A1NOS1 | |
| SCHEMBL7914515 | 0.86 | — | — | |
| SCHEMBL7909283 | 0.82 | ALDH1A1 (0.42) | ALDH1A1NOS1NOS2 | |
| SCHEMBL16219827 | 0.82 | CA1 (0.37) | CA1CA2CA4NOS1NOS2 | |
| SCHEMBL20251028 | 0.82 | — | — | |
| SCHEMBL7908546 | 0.80 | ALDH1A1 (0.52) | ALDH1A1GBA1 | |
| SCHEMBL11911635 | 0.78 | CA1 (0.30) | CA1CA2CA4 | |
| SCHEMBL26857536 | 0.78 | CA1 (0.34) | CA1CA2CA4 | |
| SCHEMBL5553290 | 0.75 | — | — | |
| SCHEMBL12628830 | 0.73 | — | — |
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 |