Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 5/20 | 0.46 |
| ▸ | BACE1 | P56817 | 5/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20685558 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20685550 | 0.88 | GAA (0.47) | HTR6 | |
| SCHEMBL20685543 | 0.85 | ALDH1A1 (0.61) | ALDH1A1BCHEACHEBACE1 | |
| SCHEMBL20685537 | 0.81 | KDM2B (0.43) | — | |
| SCHEMBL20685593 | 0.79 | PER2 (0.46) | — | |
| SCHEMBL17358485 | 0.79 | SLC18A3 (0.56) | ALDH1A1BCHEACHEBACE1 | |
| SCHEMBL15884000 | 0.79 | SLC18A3 (0.55) | ALDH1A1BCHEACHEBACE1 | |
| SCHEMBL15883876 | 0.79 | SLC18A3 (0.56) | ALDH1A1BCHEACHEBACE1 | |
| SCHEMBL15873515 | 0.79 | SLC18A3 (0.55) | ALDH1A1BCHEACHEBACE1 | |
| SCHEMBL17358486 | 0.79 | SLC18A3 (0.55) | ALDH1A1BCHEACHEBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9908863-B2 | Piperidinylcarbazoles | MERCK PATENT GMBH (DE) | 2018-03-06 | — | — | US | disclosed |