Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3991516 | 0.96 | CYP2A6 (0.31) | TSHRALOX12 | |
| Pyrimidine SCHEMBL29262826 | 0.78 | CYP2A6 (0.34) | — | |
| SCHEMBL7600 | 0.74 | — | — | |
| SCHEMBL8665803 | 0.71 | CYP2A6 (0.39) | ALDH1A1TSHRTDP1CA1CA2 | |
| SCHEMBL9429759 | 0.67 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1CA1CA2 | |
| SCHEMBL3465537 | 0.67 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1CA1CA2 | |
| SCHEMBL9988138 | 0.65 | SIGMAR1 (0.50) | ALDH1A1 | |
| SCHEMBL24159473 | 0.64 | NQO2 (0.54) | ALDH1A1TSHRTDP1GLALMNA | |
| SCHEMBL21085910 | 0.63 | DRD1 (0.37) | LMNAMAOAMAOBHSD17B10 | |
| SCHEMBL272499 | 0.60 | SIGMAR1 (0.52) | ALDH1A1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351723-A2 | NOVEL CHRYSENE DERIVATIVES AND ORGANIC ELECTRICAL DEVICE USING THE SAME | LG Chem, Ltd. (KR) | 2011-08-03 | — | — | EP | disclosed |