Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | IL1B | P01584 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 3/20 | 0.37 |
| ▸ | ACE | P12821 | 3/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRD2 | P25440 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27749158 | 0.89 | HPGDS (0.36) | NAMPTCYP1A2HIF1ANAAACYP3A4 | |
| SCHEMBL2464736 | 0.84 | NAMPT (0.43) | IDH1IL1BNAMPTACEMME | |
| SCHEMBL27770278 | 0.81 | GAA (0.39) | NAAA | |
| SCHEMBL5639144 | 0.79 | NAMPT (0.47) | IL1BNAMPTACEMMENAAA | |
| SCHEMBL24677730 | 0.76 | IDH1 (0.39) | IDH1IL1BNAMPTACEMME | |
| SCHEMBL6385322 | 0.73 | HPGDS (0.41) | NAMPTACEMMENAAABRD4 | |
| SCHEMBL2462007 | 0.73 | HPGDS (0.41) | NAMPTACEMMENAAABRD4 | |
| SCHEMBL25589897 | 0.73 | IDH1 (0.37) | IDH1IL1BNAMPTACEMME | |
| SCHEMBL12890263 | 0.72 | NAMPT (0.47) | NAMPTACEMMENAAAKDM4E | |
| SCHEMBL12875984 | 0.72 | NAMPT (0.45) | NAMPTACEMME |
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 |
|---|---|---|---|---|---|---|---|
| CN-102812029-A | Pyrrolopyrazine derivatives and their use as JAK and SYK inhibitors | HOFFMANN LA ROCHE | 2012-12-05 | — | — | CN | disclosed |
| CN-101454313-A | P38 inhibitors and methods of use thereof | ARRAY BIOPHARMA INC (US) | 2009-06-10 | — | — | CN | disclosed |