Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2688186 | 0.78 | GRN (0.57) | ALDH1A1F10GAARECQLMAPT | |
| SCHEMBL14549306 | 0.78 | ALDH1A1 (0.63) | ALDH1A1F10GAARECQLMAPT | |
| SCHEMBL4070158 | 0.78 | ALDH1A1 (0.47) | ALDH1A1F10GAARECQLMAPT | |
| SCHEMBL3634308 | 0.75 | FABP4 (0.39) | KDM4ESMN1; SMN2FABP4PTGS1PTGS2 | |
| SCHEMBL1197409 | 0.74 | KDM4E (0.52) | KDM4ESMN1; SMN2ALDH1A1GAAPTGS1 | |
| SCHEMBL1197408 | 0.74 | PTGS2 (0.50) | FABP4PTGS1PTGS2GRIN1GRIN2B | |
| Pivalate SCHEMBL27592717 | 0.73 | MAPT (0.47) | ALDH1A1F10GAARECQLMAPT | |
| SCHEMBL287956 | 0.71 | PTGS2 (0.44) | FABP4PTGS1PTGS2GRIN1GRIN2B | |
| SCHEMBL27977409 | 0.71 | PTGS2 (0.44) | SMN1; SMN2FABP4PTGS1PTGS2GRIN1 | |
| SCHEMBL2686357 | 0.68 | AKR1C3 (0.42) | KDM4ESMN1; SMN2ALDH1A1MAPTAKR1C3 |
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-2152664-A1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | Brystol-Myers Squibb Company (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008157162-A1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-24 | — | — | WO | disclosed |