Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28351229 | 0.86 | PDE4B (0.41) | PDE4BRAB9AALDH1A1KDM4EGAA | |
| SCHEMBL7235885 | 0.82 | ACHE (0.49) | PDE4BRAB9AALDH1A1KDM4ETSHR | |
| SCHEMBL7772633 | 0.82 | ACHE (0.49) | PDE4BRAB9AALDH1A1KDM4ETSHR | |
| SCHEMBL7772772 | 0.79 | RAB9A (0.44) | PDE4BRAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL818901 | 0.79 | RAB9A (0.44) | PDE4BRAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL16397520 | 0.79 | SYK (0.47) | PDE4BRAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL22320334 | 0.78 | PDE4B (0.40) | PDE4BRAB9AMAPTALDH1A1TSHR | |
| SCHEMBL16406595 | 0.78 | MAPT (0.48) | PDE4BRAB9AMAPTALDH1A1LMNA | |
| SCHEMBL723314 | 0.77 | PDE4B (0.39) | PDE4BRAB9AMAPTALDH1A1TSHR | |
| SCHEMBL18362187 | 0.77 | ALDH1A1 (0.45) | PDE4BRAB9AMAPTALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5563161-A | ANTIIFLAMMATORY, ANTIMIGRANE AND ANTIARTHRITIC AGENT | MERCK SHARP & DOHME LTD. (GB) | 1996-10-08 | — | — | US | disclosed |
| WO-1994005625-A1 | ALCOHOLS AND ETHERS WITH AROMATIC SUBSTITUENTS AS TACHYKININ-ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-17 | — | — | WO | disclosed |