Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.57 |
| ▸ | GSK3B | P49841 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.47 |
| ▸ | CDK2 | P24941 | 10/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TUBB8B | A6NNZ2 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5491314 | 0.92 | NPC1 (0.51) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL4340868 | 0.88 | CCNA2 (0.58) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL5482718 | 0.87 | CDK5 (0.51) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL5483515 | 0.86 | CCNA2 (0.56) | GSK3AGSK3BNPC1CDK5CDK5R1 | |
| SCHEMBL5482785 | 0.85 | CDK4 (0.56) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL5485671 | 0.85 | CCNA2 (0.61) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL5478195 | 0.85 | CDK4 (0.50) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL5495558 | 0.84 | CCNA2 (0.50) | GSK3AGSK3BNPC1CDK5CDK5R1 | |
| SCHEMBL5479292 | 0.83 | NPC1 (0.47) | GSK3AGSK3BMEN1KMT2ANPC1 | |
| SCHEMBL5485272 | 0.83 | CCNA2 (0.47) | GSK3AGSK3BMEN1KMT2ANPC1 |
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-1740576-A1 | NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES | F. Hoffman-la Roche AG (CH) | 2007-01-10 | — | — | EP | claimed |
| WO-2005103034-A1 | NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES | F. HOFFMAN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | claimed |
| EP-1740576-A1 | NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES | F. Hoffman-la Roche AG (CH) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103034-A1 | NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES | F. HOFFMAN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | disclosed |