Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | NCK1 | P16333 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL18769974 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL30160405 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL28187427 | 0.73 | LMNA (0.44) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL15047875 | 0.73 | CYP1A2 (0.39) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL15483438 | 0.70 | ALDH1A1 (0.42) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL11464492 | 0.68 | CYP1A2 (0.38) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL15595934 | 0.66 | NOS3 (0.32) | — | |
| SCHEMBL12927906 | 0.65 | LMNA (0.48) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL14727433 | 0.64 | KMT2A (0.44) | CYP1A2CYP2A6LMNAALDH1A1KDM4E | |
| SCHEMBL28358242 | 0.64 | TDP1 (0.42) | CYP1A2CYP2A6LMNAALDH1A1KDM4E |
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-1414455-B1 | ISOQUINOLINE INHIBITORS OF P38 | VERTEX PHARMA (US) | 2008-11-26 | — | — | EP | disclosed |