Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15677660 | 0.79 | RXRA (0.37) | ACACBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL26254910 | 0.79 | LTA4H (0.41) | ACACBCA12CA1CA2CA7 | |
| Ammonia Solution, Strong SCHEMBL18985316 | 0.77 | RXRA (0.36) | ACACBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL19003447 | 0.77 | RAB9A (0.46) | ACACBCA12CA1CA2CA7 | |
| SCHEMBL19582886 | 0.77 | EDNRA (0.39) | ACACBHPGDMAPTKDM4E | |
| SCHEMBL18994375 | 0.77 | NPC1 (0.46) | ACACBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL15677627 | 0.76 | RXRA (0.38) | ACACBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL26151655 | 0.74 | PTGS1 (0.36) | ACACBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18120361 | 0.74 | ACACB (0.39) | ACACBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4280446 | 0.73 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10 |
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-3455216-B1 | PYRIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AS AOC3 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2020-11-04 | — | — | EP | disclosed |
| WO-2017194453-A1 | PYRIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AS AOC3 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-11-16 | — | — | WO | disclosed |