Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4302181 | 0.83 | ABL1 (0.41) | ABL1BCRSCN10AGHSRKDM4E | |
| SCHEMBL3401981 | 0.76 | TSHR (0.41) | ABL1CHRNA7KMT2AMAOAJAK2 | |
| SCHEMBL1196876 | 0.69 | ABL1 (0.52) | ABL1BCRKDM4EGAAKMT2A | |
| SCHEMBL3427649 | 0.68 | CHRNA7 (0.52) | ABL1BCRSCN10ACHRNA7HDAC1 | |
| SCHEMBL4305469 | 0.68 | CACNA1H (0.51) | ABL1BCRCHRNA7HDAC1CHRM4 | |
| SCHEMBL22803763 | 0.68 | ABL1 (0.64) | ABL1BCRSYKMAOASCN9A | |
| SCHEMBL3428521 | 0.66 | NPC1 (0.56) | GHSRPTGS2NPC1RAB9A | |
| SCHEMBL30795530 | 0.65 | PTGS2 (0.49) | NR3C1GAAPTGS2RAB9ASYK | |
| SCHEMBL3201309 | 0.65 | ABL1 (0.60) | ABL1BCRGHSRCHRNA7PTGS2 | |
| SCHEMBL30488185 | 0.65 | SCN10A (0.42) | ABL1BCRSCN10ASCN9AHDAC1 |
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-2250162-A2 | AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF | Abbott Laboratories (US) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009100294-A2 | AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2009-08-13 | — | — | WO | disclosed |