Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | METAP1 | P53582 | 2/20 | 0.48 |
| ▸ | CCR1 | P32246 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | PRKCI | P41743 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19961428 | 0.85 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL277492 | 0.79 | KDM4E (0.56) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL12854083 | 0.78 | KDM4E (0.50) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL15787009 | 0.77 | TDO2 (0.51) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL16897143 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL23598962 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL30343543 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL3034362 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL17180121 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 | |
| SCHEMBL10205409 | 0.77 | CYP2A6 (0.48) | CYP2A6KDM4ELMNAMETAP1CCR1 |
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-2015069594-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-14 | — | — | WO | disclosed |