Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20523126 | 0.88 | LMNA (0.56) | LMNATDP1CYP19A1NPC1GAA | |
| SCHEMBL1134294 | 0.84 | LMNA (0.57) | LMNATDP1CYP19A1ERN1HTT | |
| SCHEMBL31167043 | 0.82 | LMNA (0.56) | LMNATDP1CYP19A1ERN1HTT | |
| SCHEMBL26980167 | 0.81 | SOS1 (0.38) | LMNAERN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL23709919 | 0.81 | LMNA (0.50) | LMNATDP1NPC1GAARAB9A | |
| SCHEMBL433463 | 0.80 | ALDH1A1 (0.58) | LMNATDP1CYP19A1GAAERN1 | |
| SCHEMBL11111298 | 0.79 | ERN1 (0.58) | LMNATDP1CYP19A1ERN1HTT | |
| SCHEMBL15903722 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL12260750 | 0.77 | LMNA (0.61) | LMNATDP1CYP19A1NPC1GAA | |
| SCHEMBL12330285 | 0.77 | LMNA (0.61) | LMNATDP1CYP19A1NPC1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016007837-A1 | CARBONYL LINKED BICYCLIC HETEROARYL ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-01-14 | — | — | WO | disclosed |
| WO-2016007837-A1 | CARBONYL LINKED BICYCLIC HETEROARYL ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-01-14 | — | — | WO | disclosed |