Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6291342 | 0.82 | FKBP1A (0.57) | SPHK2SPHK1PREP | |
| SCHEMBL7009968 | 0.81 | KDM4E (0.49) | PREPNPC1POLB | |
| SCHEMBL1578423 | 0.77 | SPHK2 (0.52) | SPHK2SPHK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4602471 | 0.76 | PREP (0.54) | PREPNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL11848922 | 0.74 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL13149480 | 0.74 | CYP2D6 (0.60) | CYP2C9CYP2D6GRIN2BCYP3A4NPC1 | |
| SCHEMBL6788581 | 0.72 | FKBP1A (0.63) | SPHK2SPHK1PREP | |
| SCHEMBL6788577 | 0.72 | FKBP1A (0.63) | SPHK2SPHK1PREP | |
| SCHEMBL10452175 | 0.72 | FKBP1A (0.46) | GRIN2BPREPNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7284521 | 0.70 | SMN1; SMN2 (0.54) | PREPNPC1RAB9ASMN1; SMN2CYP2C19 |
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-1252163-B1 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2003-09-24 | — | — | EP | disclosed |
| EP-1252163-A2 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001057042-A2 | 4-PYRIDYL-AND 2,4-PYRIMIDINYL-SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE IN PHARMACY | MERCKLE GMBH (DE) | 2001-08-09 | — | — | WO | disclosed |