Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2096172 | 0.81 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20339019 | 0.78 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20354536 | 0.75 | CALM1 (0.40) | CA2ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL28887346 | 0.73 | ALDH1A1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2876753 | 0.71 | ALDH1A1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5185794 | 0.70 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5014888 | 0.69 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2094102 | 0.69 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13814620 | 0.69 | PTPN1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17323226 | 0.69 | PDE4A (0.47) | CYP1A2CALM1PTPN1APLNR |
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 |