Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1537397 | 0.78 | CYP2D6 (0.63) | CYP2D6MAPK1IDO1NOS1NOS3 | |
| Bromide SCHEMBL5065688 | 0.77 | CYP2D6 (0.61) | CYP2D6MAPK1IDO1NOS1NOS3 | |
| SCHEMBL775058 | 0.74 | TSHR (0.48) | CYP2D6MAPK1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28072858 | 0.70 | TSHR (0.46) | CYP2D6CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL28249267 | 0.69 | TSHR (0.44) | CYP2D6MAPK1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5983825 | 0.69 | F2 (0.44) | NOS2CYP1A2F2F10F12 | |
| SCHEMBL13962802 | 0.68 | CYP2D6 (0.45) | CYP2D6MAPK1IDO1NOS1NOS3 | |
| Guanidine SCHEMBL10623943 | 0.67 | SLC6A2 (0.50) | SLC6A4SLC6A3F2F10F12 | |
| SCHEMBL10697123 | 0.66 | SLC6A3 (0.41) | CYP2D6CYP1A2CYP3A4CYP2C9TSHR | |
| Guanidine SCHEMBL29771736 | 0.66 | DPP4 (0.74) | F2F10F12F7F3 |
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-2019197670-A1 | (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY | RED BULL GMBH (AT) | 2019-10-17 | — | — | WO | disclosed |