Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | DHODH | Q02127 | 5/20 | 0.56 |
| ▸ | PARP1 | P09874 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 5/20 | 0.49 |
| ▸ | SI | P14410 | 5/20 | 0.49 |
| ▸ | MGAM2 | Q2M2H8 | 5/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3969183 | 0.87 | GRIN2B (0.60) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL24368227 | 0.84 | PKN1 (0.61) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL8816937 | 0.83 | CYP1A2 (0.59) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL7210788 | 0.81 | GRIN2B (0.58) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL7211155 | 0.81 | GRIN2B (0.58) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL8814837 | 0.81 | GRIN2B (0.54) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL7668672 | 0.80 | GAA (0.46) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| Hydrochloric Acid SCHEMBL8816892 | 0.80 | GRIN2B (0.53) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL5202972 | 0.78 | DHODH (0.49) | GRIN2BCYP1A2CYP2D6DHODHPARP1 | |
| SCHEMBL5074029 | 0.78 | MGAM (0.76) | PARP1GAANPC1RAB9AMGAM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004078874-A2 | NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS | POLAROID CORPORATION (US) | 2004-09-16 | — | — | WO | claimed |
| CN-106866543-B | A method of benzimidazole compound is catalyzed and synthesized under microwave radiation in water phase | 福建医科大学 | 2019-05-14 | — | — | CN | disclosed |
| WO-2004078874-A2 | NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS | POLAROID CORPORATION (US) | 2004-09-16 | — | — | WO | disclosed |