Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3956912 | 0.79 | ALDH1A1 (0.73) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL17353647 | 0.76 | ALDH1A1 (1.00) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL6546284 | 0.75 | CYP2D6 (0.54) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL2321199 | 0.73 | ALDH1A1 (0.50) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL2343301 | 0.72 | — | — | |
| SCHEMBL28159887 | 0.72 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL10670706 | 0.69 | KDM4E (0.55) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL19002867 | 0.69 | ALDH1A1 (0.59) | KDM4EALDH1A1SMN1; SMN2PCSK9HPGD | |
| SCHEMBL3847381 | 0.69 | ATM (0.51) | KDM4EALDH1A1SMN1; SMN2HPGDMEN1 | |
| SCHEMBL14067217 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109121397-A | Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound | 莱德克斯制药公共有限公司 | 2019-01-01 | — | — | CN | disclosed |
| US-6150352-A | ARYLQUINOLONE ANALOGS | MERCK & CO., INC. (US) | 2000-11-21 | — | — | US | disclosed |
| EP-0901489-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044339-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-11-27 | — | — | WO | disclosed |