Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 4/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6080355 | 0.90 | BACE1 (0.49) | DRD2DRD4DRD3BACE1NCF1 | |
| SCHEMBL6601817 | 0.89 | NCF1 (0.47) | DRD2DRD4DRD3BACE1NCF1 | |
| SCHEMBL6593434 | 0.89 | ALDH1A1 (0.49) | ALDH1A1TSHR | |
| SCHEMBL6602974 | 0.89 | HTR1A (0.44) | HIF1APOLBLMNAHPGDSMN1; SMN2 | |
| SCHEMBL6602328 | 0.87 | ATR (0.50) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6080415 | 0.84 | NCF1 (0.48) | DRD2DRD4DRD3BACE1NCF1 | |
| SCHEMBL6080359 | 0.81 | BACE1 (0.47) | DRD2DRD4DRD3BACE1NCF1 | |
| SCHEMBL6080127 | 0.80 | ALDH1A1 (0.49) | KDM4EALDH1A1TSHR | |
| SCHEMBL6080456 | 0.80 | NCF1 (0.47) | DRD2DRD4DRD3BACE1NCF1 | |
| SCHEMBL6080488 | 0.80 | SMN1; SMN2 (0.42) | HIF1APOLBKDM4EALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | claimed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | claimed |
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |