Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10871037 | 0.84 | CYP1A2 (0.54) | CYP2D6CYP1A2HTTCHRNA7CYP2A6 | |
| SCHEMBL5263511 | 0.81 | SLC6A4 (0.42) | CYP2D6CYP1A2HTTKDM4ECYP3A4 | |
| SCHEMBL7073814 | 0.81 | CYP1A2 (0.49) | CYP2D6CYP1A2FDPSHTTCHRNA7 | |
| SCHEMBL5191218 | 0.74 | GRIN2D (0.49) | FDPSSMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4726907 | 0.72 | FDPS (0.56) | CYP2D6CYP1A2FDPSCHRNA7KDM4E | |
| SCHEMBL2096123 | 0.72 | FDPS (0.51) | CYP2D6CYP1A2FDPSCHRNA7CHRNB2 | |
| SCHEMBL9547411 | 0.71 | FDPS (0.59) | CYP2D6CYP1A2FDPSCHRNA7KDM4E | |
| SCHEMBL7740273 | 0.71 | CYP2D6 (0.40) | CYP2D6CYP1A2FDPSHTTLTA4H | |
| SCHEMBL5454064 | 0.71 | SIGMAR1 (0.44) | CYP2D6CYP1A2FDPSRAB9ACYP3A4 | |
| SCHEMBL5460636 | 0.71 | CYP19A1 (0.51) | CYP2D6CYP1A2FDPSCHRNA7FNTA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1210598-A4 | 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-10-30 | — | — | EP | claimed |
| EP-1210598-A1 | 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2002-06-05 | — | — | EP | claimed |
| WO-2001014879-A1 | 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-01 | — | — | WO | claimed |