Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL21448013 | 0.84 | CYP1A2 (0.37) | CYP1A2TDP1PHGDHMGLLPOLB | |
| SCHEMBL23693184 | 0.79 | CYP1A2 (0.39) | CYP1A2TDP1PHGDHMGLLPOLB | |
| SCHEMBL21548799 | 0.79 | CA2 (0.31) | — | |
| SCHEMBL18746963 | 0.79 | LMNA (0.36) | PHGDHMGLL | |
| SCHEMBL19087143 | 0.78 | CYP1A2 (0.40) | CYP1A2TDP1PHGDHMGLLPOLB | |
| SCHEMBL20430672 | 0.77 | CYP1A2 (0.34) | CYP1A2TDP1PHGDHMGLLPOLB | |
| SCHEMBL19546968 | 0.76 | CYP1A2 (0.33) | CYP1A2TDP1PHGDHMGLL | |
| SCHEMBL24716441 | 0.74 | CYP1A2 (0.35) | CYP1A2TDP1PHGDHMGLLPOLB | |
| SCHEMBL15906460 | 0.73 | CYP1A2 (0.31) | CYP1A2TDP1 | |
| SCHEMBL12998880 | 0.71 | CYP1A2 (0.48) | CYP1A2TDP1PHGDHMGLLPOLB |
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-2010071846-A2 | COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS | AFRAXIS, INC. (US) | 2010-06-24 | — | — | WO | disclosed |