Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5652545 | 0.85 | CYP2D6 (0.40) | ADRA1AALDH1A1KMT2ATSHROPRM1 | |
| SCHEMBL3685798 | 0.82 | HTR1A (0.38) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL5267681 | 0.71 | SLC2A1 (0.47) | — | |
| SCHEMBL5267677 | 0.71 | SLC2A1 (0.47) | — | |
| SCHEMBL3697149 | 0.70 | HTR1A (0.35) | HTR1AADRA1DADRA1AADRA1BALDH1A1 | |
| SCHEMBL13145818 | 0.69 | SLC2A1 (0.49) | — | |
| SCHEMBL3687873 | 0.69 | SLC2A1 (0.49) | — | |
| SCHEMBL3688489 | 0.67 | HTR1A (0.33) | HTR1AADRA1DADRA1AADRA1BALDH1A1 | |
| SCHEMBL3694585 | 0.65 | ADORA2A (0.42) | HTR1AADRA1DADRA1AADRA1BENPP1 | |
| SCHEMBL3687413 | 0.65 | ADORA2A (0.42) | HTR1AADRA1DADRA1AADRA1BENPP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |
| EP-1551829-A2 | NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004035569-A2 | NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY | Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) | 2004-04-29 | — | — | WO | disclosed |