Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28784642 | 0.88 | HDAC4 (0.33) | CHRNB2CHRNA4ALDH1A1EGFRCA2 | |
| SCHEMBL31545457 | 0.86 | HDAC4 (0.35) | CHRNB2CHRNA4ALDH1A1EGFRCA2 | |
| SCHEMBL6755881 | 0.78 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10KMT2AMEN1 | |
| SCHEMBL8625311 | 0.78 | MEN1 (0.42) | ALDH1A1EGFRCA2LMNAFYN | |
| SCHEMBL6755825 | 0.76 | TRPA1 (0.39) | CHRNB2CHRNA4KMT2AMEN1DRD2 | |
| SCHEMBL6755917 | 0.72 | IDO1 (0.45) | HPGDALOX15RECQLHSD17B10TDP1 | |
| SCHEMBL30499668 | 0.69 | CNR1 (0.41) | — | |
| SCHEMBL6755897 | 0.68 | ESR2 (0.42) | ALDH1A1CA2LMNAHPGDALOX15 | |
| SCHEMBL20561348 | 0.67 | CYP2C19 (0.41) | LMNAALOX15RECQLHSD17B10PPARA | |
| SCHEMBL1199949 | 0.67 | CYP2C19 (0.41) | LMNAALOX15RECQLHSD17B10PPARA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101624332-A | Novel compound with antitumor activity and application thereof | GUANZHOU INST OF BIOMEDICINE A | 2010-01-13 | — | — | CN | claimed |
| CN-101624332-B | Novel compound with antitumor activity and application thereof | GUANZHOU INST OF BIOMEDICINE AND HEALTH CHINESE ACADEMY OF SCIENCE | 2012-11-21 | — | — | CN | disclosed |
| CN-101624332-A | Novel compound with antitumor activity and application thereof | GUANZHOU INST OF BIOMEDICINE A | 2010-01-13 | — | — | CN | disclosed |