Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31588461 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL7475825 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL4869131 | 0.96 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL7002095 | 0.83 | GAA (0.51) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL1526690 | 0.81 | GPR84 (0.46) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL1526691 | 0.81 | GPR84 (0.46) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL31054946 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL22847754 | 0.78 | HRH3 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1GAA | |
| SCHEMBL3660587 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL24753894 | 0.76 | GAA (0.51) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1243271-A1 | NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |
| EP-1123936-A1 | FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |