Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL14293536 | 0.95 | ALDH1A1 (0.37) | CNR2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL5491165 | 0.87 | ALDH1A1 (0.44) | CYP1A2ALDH1A1TAS1R3TAS1R1LMNA | |
| SCHEMBL2787176 | 0.87 | ALDH1A1 (0.44) | CYP1A2CNR2ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL16542108 | 0.86 | TP53 (0.34) | TP53 | |
| SCHEMBL5397905 | 0.82 | KIF11 (0.41) | CYP1A2ALDH1A1LMNASMN1; SMN2TSHR | |
| SCHEMBL17849333 | 0.82 | KIF11 (0.41) | CYP1A2ALDH1A1LMNASMN1; SMN2TSHR | |
| SCHEMBL16542068 | 0.81 | TP53 (0.37) | CNR2TP53 | |
| SCHEMBL12787068 | 0.81 | CYP2D6 (0.40) | CYP1A2CNR2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL14293024 | 0.81 | NPC1 (0.45) | CNR2 | |
| SCHEMBL14466771 | 0.80 | ESR1 (0.37) | ALDH1A1TAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1892730-A1 | Crosslinkable Hole transport polymers | E.I.Du pont de nemours and company (US) | 2008-02-27 | — | — | EP | disclosed |