Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14291974 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL14435532 | 0.82 | CA2 (0.57) | — | |
| SCHEMBL23192517 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2A6MEN1ALDH1A1KMT2A | |
| SCHEMBL15457924 | 0.80 | ESR1 (0.57) | CYP1A2 | |
| SCHEMBL15558957 | 0.79 | MEN1 (0.34) | CYP1A2MEN1ALDH1A1KMT2A | |
| SCHEMBL19562135 | 0.71 | ESR1 (0.61) | CYP1A2ALDH1A1 | |
| SCHEMBL25157248 | 0.71 | NPC1 (0.61) | CYP1A2MEN1ALDH1A1CASP1CASP7 | |
| SCHEMBL7875902 | 0.71 | USP2 (0.55) | CYP1A2CYP2A6 | |
| SCHEMBL46965 | 0.69 | ALDH1A1 (0.40) | MEN1ALDH1A1CASP1KMT2A | |
| SCHEMBL8042030 | 0.69 | HSD17B10 (0.46) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007098263-A2 | SYNTHESIS OF A HIGHLY CRYSTALLINE, COVALENTLY LINKED POROUS NETWORK | UNIVERSITY OF SOUTH CAROLINA (US) | 2007-08-30 | — | — | WO | disclosed |