Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.35 |
| ▸ | HTR3A | P46098 | 3/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL844180 | 0.81 | DAO (0.41) | KMOGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL844226 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL104140 | 0.77 | DYRK1A (0.37) | KMOCHRNA7HTR3AHTR3EHTR3B | |
| SCHEMBL842797 | 0.75 | KMO (0.57) | KMOCHRNA7HTR3AHTR3EHTR3B | |
| SCHEMBL29890580 | 0.75 | KMO (0.57) | KMOCHRNA7HTR3AHTR3EHTR3B | |
| SCHEMBL844863 | 0.70 | KMO (0.54) | KMOCHRNA7HTR3AHTR3EHTR3B | |
| SCHEMBL29892144 | 0.66 | CHRNA7 (0.52) | KMOCHRNA7HTR3AHTR3EHTR3B | |
| SCHEMBL6263910 | 0.66 | CHRNA7 (0.52) | KMOCHRNA7HTR3AHTR3EHTR3B | |
| SCHEMBL10555583 | 0.65 | ALDH1A1 (0.36) | KMODYRK1AMRGPRX4CTNNB1WNT3A | |
| SCHEMBL844015 | 0.65 | MTNR1A (0.43) | GABRPGABRDGABRA1GABRB1GABRG2 |
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-1572300-A1 | COMBINATION FOR THE TREATMENT OF ADHD | Pharmacia & Upjohn Company LLC (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004052461-A1 | COMBINATION FOR THE TREATMENT OF ADHD | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-06-24 | — | — | WO | disclosed |