Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FADS1 | O60427 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9946577 | 0.88 | FADS1 (0.53) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9946968 | 0.79 | PTGES (0.53) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9944835 | 0.78 | FADS1 (0.56) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10170901 | 0.72 | FADS1 (0.63) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10170839 | 0.72 | FADS1 (0.51) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9899451 | 0.71 | FADS1 (0.50) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11992718 | 0.70 | EGFR (0.57) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9944731 | 0.69 | FADS1 (0.53) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24460129 | 0.68 | HDAC3 (0.60) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1671470 | 0.67 | FADS1 (0.53) | FADS1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012076673-A1 | 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |