Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | GRK5 | P34947 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6838343 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL1269876 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL8085548 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP3A4CYP19A1HTT | |
| SCHEMBL21292987 | 0.76 | VCAM1 (0.47) | ALDH1A1TDP1CYP19A1HTTLMNA | |
| SCHEMBL7344596 | 0.75 | GRIN2D (0.43) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL7352678 | 0.72 | GRIN2D (0.46) | ALDH1A1TSHRTDP1HTTLMNA | |
| SCHEMBL1305456 | 0.71 | PTPRC (0.52) | ALDH1A1TSHRTDP1GPR35CYP3A4 | |
| SCHEMBL7344459 | 0.70 | MAPK1 (0.39) | ALDH1A1TSHRTDP1GPR35HTT | |
| SCHEMBL7350934 | 0.69 | GRIN2D (0.46) | ALDH1A1TSHRTDP1HTTLMNA | |
| SCHEMBL7351087 | 0.69 | GRIN2D (0.46) | ALDH1A1TDP1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |
| EP-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |