Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8853789 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL14479284 | 0.83 | MAPT (0.41) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL13954093 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL12438887 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL9583273 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL18424976 | 0.77 | KMT2A (0.44) | ALDH1A1MAPTRAB9ANPC1MEN1 | |
| SCHEMBL3324909 | 0.77 | GRIN2D (0.48) | ALDH1A1MAPTRAB9ANPC1MEN1 | |
| SCHEMBL13656955 | 0.77 | MEN1 (0.42) | MAPTRAB9ANPC1MEN1KMT2A | |
| SCHEMBL19840166 | 0.77 | CA12 (0.53) | ALDH1A1MAPTRAB9ANPC1MEN1 | |
| SCHEMBL5202061 | 0.77 | MEN1 (0.42) | MAPTRAB9ANPC1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5659084-A | LEUKOTRIENE ANTAGONIST | SMITHKLINE BEECHAM CORPORATION (US) | 1997-08-19 | — | — | US | claimed |
| WO-2013003315-A2 | METHODS FOR PREPARING ISOQUINOLINES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-01-03 | — | — | WO | disclosed |
| US-5659084-A | LEUKOTRIENE ANTAGONIST | SMITHKLINE BEECHAM CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0643682-A4 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-SUBSTITUTED BENZALDEHYDES. | SMITHKLINE BEECHAM CORP (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0643682-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-SUBSTITUTED BENZALDEHYDES | SMITHKLINE BEECHAM CORPORATION (US) | 1995-03-22 | — | — | EP | disclosed |
| WO-1993019033-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 2-SUBSTITUTED BENZALDEHYDES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-09-30 | — | — | WO | disclosed |