Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL17907419 | 0.89 | ALDH1A1 (0.38) | LTA4HHTTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL514272 | 0.87 | CA1 (0.33) | MMP2MMP9CA1CA2 | |
| SCHEMBL20710436 | 0.81 | LTA4H (0.52) | LTA4HMMP2MMP9CA1CA2 | |
| SCHEMBL16841481 | 0.81 | TEAD4 (0.50) | HTTALDH1A1LMNASMN1; SMN2CYP3A4 | |
| SCHEMBL3845620 | 0.76 | LTA4H (0.50) | LTA4HMMP2MMP9APPCA1 | |
| SCHEMBL2883028 | 0.76 | LTA4H (0.50) | LTA4HMMP2MMP9APPCA1 | |
| SCHEMBL3841043 | 0.76 | LTA4H (0.50) | LTA4HMMP2MMP9APPCA1 | |
| SCHEMBL7515512 | 0.76 | LTA4H (0.47) | LTA4HHTTLMNASMN1; SMN2TSHR | |
| SCHEMBL10951920 | 0.75 | PARP15 (0.46) | CA1CA2CA9ALDH1A1LMNA | |
| SCHEMBL8779728 | 0.74 | — | — |
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-2871180-A1 | 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT | Agro-Kanesho Co., Ltd. (JP) | 2015-05-13 | — | — | EP | disclosed |