Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP12 | P39900 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | FABP7 | O15540 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL543636 | 1.00 | CYP19A1 (0.46) | CYP19A1EPHX1GPR35CYP2C19CA12 | |
| SCHEMBL4425518 | 0.83 | EPHX1 (0.45) | CYP19A1EPHX1GPR35CYP2C19CA12 | |
| SCHEMBL14606265 | 0.83 | CYP19A1 (0.49) | CYP19A1EPHX1CYP2C19CA12CA1 | |
| SCHEMBL27976432 | 0.80 | CYP19A1 (0.42) | CYP19A1EPHX1GPR35CYP2C19CA12 | |
| SCHEMBL20455701 | 0.80 | KAT2B (0.36) | CYP19A1 | |
| SCHEMBL23018464 | 0.79 | CYP19A1 (0.54) | CYP19A1EPHX1CYP2C19NAAASMN1; SMN2 | |
| Hydrazine SCHEMBL3862636 | 0.79 | CYP19A1 (0.42) | CYP19A1EPHX1GPR35CYP2C19CA12 | |
| SCHEMBL686208 | 0.79 | CYP19A1 (0.50) | CYP19A1EPHX1GPR35CYP2C19CA12 | |
| SCHEMBL21454934 | 0.79 | CYP19A1 (0.54) | CYP19A1EPHX1CYP2C19NAAASMN1; SMN2 | |
| SCHEMBL14422671 | 0.79 | CYP19A1 (0.42) | CYP19A1EPHX1GPR35CYP2C19CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018141986-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-08-09 | — | — | WO | disclosed |
| WO-2018141986-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2018-08-09 | — | — | WO | disclosed |
| EP-3357924-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | Mutabilis (FR) | 2018-08-08 | — | — | EP | disclosed |
| EP-3357924-A1 | NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | Mutabilis (FR) | 2018-08-08 | — | — | EP | disclosed |