Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL5823531 | 0.74 | CYP2D6 (0.41) | ALDH1A1 | |
| SCHEMBL998511 | 0.71 | EDNRB (0.44) | CYP1A2MAPK1EDNRBEDNRAHSP90AA1 | |
| SCHEMBL28092444 | 0.70 | CYP1A2 (0.43) | CYP1A2MAPK1ALDH1A1EDNRBEDNRA | |
| SCHEMBL27808522 | 0.68 | ALDH1A1 (0.32) | ALDH1A1ERN1 | |
| SCHEMBL18748412 | 0.66 | S100A4 (0.41) | CYP1A2MAPK1ALDH1A1EDNRBEDNRA | |
| SCHEMBL28507942 | 0.66 | BRD4 (0.32) | ALDH1A1 | |
| SCHEMBL28880613 | 0.64 | S100A4 (0.41) | CYP1A2MAPK1ALDH1A1EDNRBEDNRA | |
| SCHEMBL27716951 | 0.63 | CYP1A2 (0.53) | CYP1A2MAPK1ALDH1A1EDNRBEDNRA | |
| SCHEMBL29954649 | 0.62 | TP53 (0.46) | ALDH1A1CA12CA2CA9 | |
| SCHEMBL28237453 | 0.62 | KDM1A (0.32) | CYP1A2MAPK1EDNRBEDNRAHSP90AA1 |
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-0010740-B1 | SPIRODIPYRANES AND THEIR USE AS COLOUR FORMERS IN COPYING PROCESSES | BASF Aktiengesellschaft (DE) | 1982-04-21 | — | — | EP | disclosed |
| EP-0010740-A1 | Spirodipyranes and their use as colour formers in copying processes | BASF Aktiengesellschaft (DE) | 1980-05-14 | — | — | EP | disclosed |