Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | RXRB | P28702 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| 1-Hydroxy-3-Ethoxybenzene SCHEMBL30597483 | 0.89 | CHRNB2 (0.59) | CYP3A4CHRNB2CHRNA4NLRP3SMN1; SMN2 | |
| 1-Hydroxy-3-Ethoxybenzene SCHEMBL365637 | 0.89 | CHRNB2 (0.59) | CYP3A4CHRNB2CHRNA4NLRP3SMN1; SMN2 | |
| 1-Hydroxy-3-Ethoxybenzene SCHEMBL11135932 | 0.87 | CHRNB2 (0.58) | CYP3A4CHRNB2CHRNA4NLRP3SMN1; SMN2 | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL27740607 | 0.84 | ESR1 (0.59) | CYP3A4KMT2AMEN1MAPTLMNA | |
| Benzophenone SCHEMBL28195163 | 0.82 | LMNA (0.69) | CYP3A4SMN1; SMN2KDM4EALDH1A1RXRA | |
| SCHEMBL27848592 | 0.81 | ALDH1A1 (0.52) | CYP3A4SMN1; SMN2KDM4EALDH1A1RXRA | |
| Resorcinol SCHEMBL28105287 | 0.81 | ALDH1A1 (0.57) | CYP3A4SMN1; SMN2KDM4EALDH1A1HSD17B10 | |
| 1-Hydroxy-3-Ethoxybenzene SCHEMBL8073061 | 0.81 | CHRNB2 (0.51) | CYP3A4CHRNB2CHRNA4ALDH1A1TP53 | |
| 1-Hydroxy-3-Propoxybenzene SCHEMBL7605942 | 0.81 | CHRNB2 (0.60) | CYP3A4CHRNB2CHRNA4KDM4EALDH1A1 | |
| Phenetole SCHEMBL27329112 | 0.80 | LTA4H (0.61) | SMN1; SMN2HPGDKMT2AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103319497-B | preparation method of natural product Hirtellanine B and derivatives thereof and application of natural product Hirtellanine B and derivatives thereof in preparation of drugs for treating tumors | Barcelona Pharmaceutical (China) Co.,Ltd. (CN) | 2016-05-18 | — | — | CN | disclosed |