Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5043427 | 0.81 | GSK3B (0.44) | ALDH1A1HPGDMAPTHTTMEN1 | |
| SCHEMBL5043694 | 0.80 | EIF4E (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL5047149 | 0.76 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL5048621 | 0.74 | KLKB1 (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL5048681 | 0.73 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5043697 | 0.73 | IDH1 (0.45) | ALDH1A1SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL5044978 | 0.72 | KLKB1 (0.49) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL5039558 | 0.72 | SREBF2 (0.39) | ALDH1A1L3MBTL1 | |
| SCHEMBL5043787 | 0.71 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5046987 | 0.71 | KLKB1 (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD |
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-1583762-A1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060888-A1 | NOVEL CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |