Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 2/20 | 0.57 |
| ▸ | LTA4H | P09960 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 3/20 | 0.42 |
| ▸ | MMP9 | P14780 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845620 | 0.86 | LTA4H (0.50) | MAPTAPPLTA4HMAOAMMP2 | |
| SCHEMBL3843978 | 0.86 | MAPT (0.74) | MAPTLTA4HMAOAMAOBMMP2 | |
| SCHEMBL391385 | 0.86 | MAPT (0.74) | MAPTLTA4HMAOAMAOBMMP2 | |
| SCHEMBL3842527 | 0.86 | MAPT (0.74) | MAPTLTA4HMAOAMAOBMMP2 | |
| SCHEMBL3841043 | 0.86 | LTA4H (0.50) | MAPTAPPLTA4HMAOAMMP2 | |
| SCHEMBL2883028 | 0.86 | LTA4H (0.50) | MAPTAPPLTA4HMAOAMMP2 | |
| Phosphine SCHEMBL23732402 | 0.83 | MAPT (0.70) | MAPTLTA4HMAOAMAOBMMP2 | |
| SCHEMBL455656 | 0.83 | CYP2A6 (0.61) | APPCYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL8068361 | 0.83 | CYP2A6 (0.61) | APPCYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL24146 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-6034206-A | POLYANILINES; HEAT, CHEMICAL AND SOLVENT RESISTANCE | TOSOH CORPORATION (JP) | 2000-03-07 | — | — | US | disclosed |