Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | RRM1 | P23921 | 1/20 | 0.35 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19682354 | 0.78 | CYP1A2 (0.41) | MAOAPOLBHTR2BCHRM2CHRM1 | |
| SCHEMBL22310126 | 0.74 | HTR2B (0.43) | MAOAPOLBHTR2BBCHECES1 | |
| SCHEMBL8160473 | 0.74 | MAOA (0.42) | MAOAPOLBHTR2BCHRM2CHRM1 | |
| SCHEMBL26461857 | 0.71 | HTR2B (0.44) | MAOAPOLBHTR2BCHRM2CHRM1 | |
| SCHEMBL28167254 | 0.71 | POLB (0.41) | MAOAPOLBHTR2BBCHECES1 | |
| SCHEMBL1626146 | 0.71 | MAOA (0.52) | MAOAPOLBHTR2BBCHECES1 | |
| SCHEMBL2120191 | 0.70 | MAOA (0.47) | MAOAPOLBHTR2BBCHECES1 | |
| SCHEMBL28004757 | 0.70 | MAOA (0.54) | MAOAPOLBHTR2BBCHECES1 | |
| Fluorene SCHEMBL28167258 | 0.70 | HTR2B (0.40) | MAOAPOLBHTR2BBCHECES1 | |
| SCHEMBL28004759 | 0.68 | MAOA (0.52) | MAOAPOLBHTR2BCHRM2CHRM1 |
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-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 |