Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1748385 | 0.85 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CYP1A2KDM4ECYP3A4 | |
| SCHEMBL3572644 | 0.84 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1CYP1A2MAPK1KDM4E | |
| SCHEMBL7457620 | 0.81 | TUBB1 (0.55) | ALDH1A1L3MBTL1CYP1A2MAPK1KDM4E | |
| SCHEMBL31004955 | 0.78 | TUBB1 (0.54) | ALDH1A1L3MBTL1CYP1A2MAPK1KDM4E | |
| SCHEMBL29254188 | 0.78 | TUBB1 (0.54) | ALDH1A1L3MBTL1CYP1A2MAPK1KDM4E | |
| SCHEMBL28497425 | 0.78 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1KDM4EMEN1KMT2A | |
| SCHEMBL6850758 | 0.77 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL14835718 | 0.75 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CYP1A2MAPK1KDM4E | |
| SCHEMBL7461886 | 0.74 | FDPS (0.51) | ALDH1A1L3MBTL1CYP1A2MAPK1KDM4E | |
| SCHEMBL346053 | 0.73 | KMT2A (0.64) | ALDH1A1L3MBTL1KDM4EMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2001867-B1 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-07-01 | — | — | EP | disclosed |
| EP-1858901-B1 | BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2008-11-05 | — | — | EP | disclosed |