Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158237 | 0.84 | MAOB (0.49) | NFKB1NFKB2RELAIDO1KDM4A | |
| SCHEMBL8467720 | 0.84 | MAOB (0.49) | NFKB1NFKB2RELAIDO1KDM4A | |
| SCHEMBL9525580 | 0.83 | KDM4A (0.48) | KDM4ACTSSCTSKCTSBRAB9A | |
| SCHEMBL5468068 | 0.81 | TDP1 (0.51) | IDO1CA12CA1MALT1MEN1 | |
| SCHEMBL28074205 | 0.80 | ACE (0.40) | IDO1CA12CA1CA7CA14 | |
| SCHEMBL10431398 | 0.79 | CTSS (0.43) | IDO1KDM4ACA12CA1CTSS | |
| SCHEMBL4583679 | 0.78 | IDO1 (0.53) | IDO1KDM4ACA12CA1CA7 | |
| Benzaldehyde SCHEMBL27644828 | 0.78 | IDO1 (0.47) | NFKB1NFKB2RELAIDO1KDM4A | |
| SCHEMBL9530194 | 0.77 | NQO2 (0.47) | KDM4ACTSSCTSKNAMPTRAB9A | |
| SCHEMBL21523064 | 0.76 | EGFR (0.37) | RAB9AMEN1NPC1GAAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |
| EP-0365045-B1 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO CO (JP) | 1993-12-01 | — | — | EP | disclosed |
| EP-0365045-A1 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1990-04-25 | — | — | EP | disclosed |