Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3045540 | 0.89 | CYP1A2 (0.50) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL5726449 | 0.89 | CYP1A2 (0.50) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL5727466 | 0.81 | HTT (0.39) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| Methyl Alcohol SCHEMBL10916312 | 0.75 | CYP1A2 (0.56) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL6024059 | 0.75 | NAAA (0.46) | CYP1A2MEN1KMT2A | |
| SCHEMBL10569484 | 0.75 | CYP1A2 (0.62) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL183947 | 0.75 | — | — | |
| SCHEMBL10569491 | 0.75 | CYP1A2 (0.62) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL11124019 | 0.75 | CYP1A2 (0.62) | HTTLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL10568305 | 0.75 | CYP1A2 (0.70) | HTTLMNAMAPK1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392309-A4 | SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1392309-A1 | SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002092090-A1 | SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-11-21 | — | — | WO | disclosed |