Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22751015 | 0.90 | TP53 (0.30) | CYP3A4 | |
| SCHEMBL23652017 | 0.78 | MEN1 (0.34) | CYP3A4ALDH1A1CA12CA1CA2 | |
| SCHEMBL16906012 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL10946709 | 0.71 | ALDH1A1 (0.42) | CYP3A4CASP1RECQLALDH1A1TDP1 | |
| SCHEMBL19325180 | 0.69 | ALDH1A1 (0.38) | CYP3A4ALDH1A1TDP1NPSR1KDM4E | |
| SCHEMBL7919787 | 0.69 | CRHBP (0.51) | CYP3A4CASP1RECQLALDH1A1TDP1 | |
| SCHEMBL21795024 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL10944094 | 0.69 | NPSR1 (0.39) | CYP3A4CASP1RECQLALDH1A1TDP1 | |
| SCHEMBL21376608 | 0.68 | — | — | |
| SCHEMBL19091591 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10897025-B2 | Electroactive materials | LG CHEM, LTD. | 2021-01-19 | — | — | US | disclosed |
| US-20180097193-A1 | ELECTROACTIVE MATERIALS | LG CHEM, LTD. (KR) | 2018-04-05 | — | — | US | disclosed |