Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 8/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL644447 | 0.78 | PDE4A (0.43) | HTTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL11851657 | 0.77 | KDM4E (0.50) | ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL13596807 | 0.76 | PDE4B (0.47) | ALDH1A1KDM4EMAPTTSHRHTT | |
| SCHEMBL11845185 | 0.74 | FAAH (0.43) | — | |
| SCHEMBL17112010 | 0.73 | GRM5 (0.47) | ALDH1A1KDM4EMAPTTSHRHTT | |
| SCHEMBL11846190 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4ETUBB4ATUBBTUBA3C | |
| SCHEMBL14950993 | 0.72 | PDE4B (0.56) | ALDH1A1KDM4EMAPTTSHRHTT | |
| SCHEMBL11852236 | 0.71 | MAPT (0.46) | KDM4EMAPTTSHRTUBB4ATUBB | |
| SCHEMBL11846894 | 0.71 | TUBB4A (0.49) | ALDH1A1PDE4BTUBB4ATUBBTUBA3C | |
| SCHEMBL23595947 | 0.69 | HPGD (0.55) | ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4000286-A | ANALGESICS, ANTIINFLAMMATORY AND ANTIPYRETIC AGENTS | MERCK & CO., INC. (US) | 1976-12-28 | — | — | US | disclosed |