Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 5/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 4/20 | 0.52 |
| ▸ | BACE1 | P56817 | 3/20 | 0.52 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | CCR2 | P41597 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL17610278 | 0.92 | BCHE (0.62) | BCHEACHEBACE1DPP7DRD2 | |
| SCHEMBL5143427 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL1623588 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL16007156 | 0.85 | DRD2 (0.57) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL11949312 | 0.85 | DRD2 (0.57) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL1934958 | 0.83 | KMT2A (0.54) | ALDH1A1KDM4EHPGDBCHEMAOB | |
| SCHEMBL4133414 | 0.82 | SIGMAR1 (0.67) | BCHEACHEBACE1DPP7DRD2 | |
| SCHEMBL17377408 | 0.82 | CYP1A2 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL27936853 | 0.82 | DRD2 (0.57) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL25139432 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 |
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-2506716-A1 | NOVEL TRICYCLIC COMPOUNDS | Abbott Laboratories (US) | 2012-10-10 | — | — | EP | disclosed |
| WO-2011068881-A1 | NOVEL TRICYCLIC COMPOUNDS | ABBOTT LABORATORIES (US) | 2011-06-09 | — | — | WO | disclosed |