Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | TACR3 | P29371 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.53 |
| ▸ | MEN1 | O00255 | 6/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28699068 | 0.88 | STAT3 (0.54) | STAT3ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL28691066 | 0.87 | CYP3A4 (0.68) | CYP3A4ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL28699070 | 0.86 | MAPT (0.57) | CYP3A4ALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL28672666 | 0.86 | CYP2C9 (0.68) | CYP3A4ALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL28680454 | 0.84 | TP53 (0.55) | CYP3A4ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL28690150 | 0.84 | STAT3 (0.61) | STAT3CYP3A4LMNAKDM4EHTT | |
| SCHEMBL28681436 | 0.82 | STAT3 (0.61) | STAT3CYP3A4ALDH1A1LMNAKDM4E | |
| SCHEMBL28690124 | 0.81 | ALDH1A1 (0.58) | STAT3ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL28695985 | 0.79 | STAT3 (0.55) | STAT3CYP3A4ALDH1A1LMNAKDM4E | |
| SCHEMBL19501569 | 0.78 | NPC1 (0.52) | KMT2AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-113747920-A | Immune checkpoint inhibitor combination therapy using quinoline carboxamide derivatives | 株式会社益力多本社 | 2021-12-03 | — | — | CN | disclosed |
| CN-112703001-A | Combination cancer therapy using quinoline carboxamide derivatives | 株式会社益力多本社 | 2021-04-23 | — | — | CN | disclosed |