Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8358531 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPTKDM4EMEN1 | |
| SCHEMBL8361492 | 0.79 | PDPK1 (0.47) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL6173275 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL2000543 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL13326478 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL22257088 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL3244190 | 0.77 | TDP1 (0.64) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL30785981 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL22230648 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4MAPTKDM4E | |
| SCHEMBL28984550 | 0.72 | PTGS1 (0.57) | ALDH1A1TDP1CYP3A4MAPTKDM4E |
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-5919807-A | ANTICHOLESTEROL AGENTS | DR. KARL THOMAE GMBH (DE) | 1999-07-06 | — | — | US | disclosed |
| EP-0824529-A1 | BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035681-A1 | BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-11-14 | — | — | WO | disclosed |