Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMBS | P08397 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | LPO | P22079 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20553384 | 0.71 | MAPT (0.40) | MAPTKDM4ESMN1; SMN2GAACA1 | |
| SCHEMBL8404456 | 0.70 | — | — | |
| SCHEMBL20309 | 0.68 | — | — | |
| SCHEMBL20830163 | 0.67 | SMN1; SMN2 (0.38) | PARP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28798661 | 0.64 | PARP1 (0.44) | MAPTKDM4EPARP1SMN1; SMN2GAA | |
| SCHEMBL546152 | 0.63 | — | — | |
| SCHEMBL1178128 | 0.61 | — | — | |
| SCHEMBL312460 | 0.61 | — | — | |
| SCHEMBL4016272 | 0.61 | — | — | |
| SCHEMBL11018441 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2697229-B1 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2018-04-04 | — | — | EP | disclosed |