Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15319233 | 0.75 | CA1 (0.31) | CA1CA2ALDH1A1HTTNPSR1 | |
| SCHEMBL4873447 | 0.75 | CA1 (0.31) | CA1CA2ALDH1A1HTTNPSR1 | |
| SCHEMBL28372565 | 0.75 | GAA (0.30) | — | |
| SCHEMBL27793881 | 0.73 | — | — | |
| SCHEMBL5159548 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL5690482 | 0.72 | — | — | |
| SCHEMBL16194290 | 0.72 | HTR2A (0.37) | — | |
| Acetonitrile SCHEMBL28860678 | 0.71 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL8202293 | 0.70 | — | — | |
| SCHEMBL30469217 | 0.70 | CA1 (0.30) | CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2215760-A | — | — | None | — | — | JP | disclosed |
| JP-H02215760-A | NEW NAPHTHALENEDICARBONITRILE COMPOUND | MITSUI TOATSU CHEM INC | 1990-08-28 | — | — | JP | disclosed |