Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.35 |
| ▸ | ITGAL | P20701 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226460 | 0.95 | ALDH1A1 (0.38) | SIRT1ALDH1A1ALOX15LMNAALOX12 | |
| SCHEMBL5228511 | 0.84 | MAPT (0.38) | ALDH1A1HTTPOLBKDM4ENPC1 | |
| SCHEMBL2908342 | 0.83 | ITGB2 (0.38) | SIRT1ITGB2ICAM1ITGALALDH1A1 | |
| SCHEMBL1998839 | 0.80 | GSK3B (0.34) | ALDH1A1LMNAGAAKDM4D | |
| SCHEMBL2003026 | 0.80 | GSK3B (0.33) | ALDH1A1LMNAGAA | |
| SCHEMBL1998346 | 0.79 | GSK3B (0.34) | ITGB2ICAM1ITGALLMNANPC1 | |
| SCHEMBL2001021 | 0.79 | LMNA (0.33) | ALDH1A1LMNAKCNH2GAA | |
| SCHEMBL2000118 | 0.79 | KCNH2 (0.33) | ALDH1A1LMNAKCNH2NPC1GAA | |
| SCHEMBL5907357 | 0.71 | HTR1A (0.39) | ALDH1A1LMNAKMT2A | |
| SCHEMBL5907259 | 0.70 | P4HB (0.40) | ALDH1A1ALOX15LMNAALOX12HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |