Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20354378 | 0.83 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31257110 | 0.78 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20339017 | 0.78 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8944063 | 0.78 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2096172 | 0.74 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8943675 | 0.74 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21553432 | 0.73 | ALDH1A1 (0.54) | CYP1A2LMNATSHRNPC1NFE2L2 | |
| SCHEMBL8944319 | 0.72 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17971147 | 0.70 | CA1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8943802 | 0.70 | PTGES (0.51) | CA12CA1CA2CA7CA9 |
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-3562817-A1 | ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS | Centre National de la Recherche Scientifique (CNRS) (FR) | 2019-11-06 | — | — | EP | disclosed |
| WO-2018122359-A1 | ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2018-07-05 | — | — | WO | disclosed |