Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL29138983 | 0.88 | ALDH1A1 (0.91) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL15704 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29466998 | 0.88 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4379595 | 0.86 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| Hydrochloric Acid SCHEMBL2862605 | 0.86 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| Ammonia Solution, Strong SCHEMBL7607913 | 0.86 | ALDH1A1 (0.95) | ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19 | |
| Propanol SCHEMBL6496776 | 0.83 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| Cyanide SCHEMBL28071429 | 0.82 | ALDH1A1 (0.88) | ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19 | |
| Questiomycin B SCHEMBL27305569 | 0.82 | ALOX15 (0.75) | ALDH1A1TSHRALOX15CYP1A2CYP2C9 | |
| Acetic Acid SCHEMBL29168779 | 0.81 | ALDH1A1 (0.78) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2181985-A1 | Antiviral Agent | SHIONOGI & CO., LTD. (JP) | 2010-05-05 | — | — | EP | disclosed |
| CN-100491349-C | Antiviral agent | SHIONOGI & CO (JP) | 2009-05-27 | — | — | CN | disclosed |
| CN-1558898-A | Antiviral agent | ��Ұ����ҩ��ʽ���� | 2004-12-29 | — | — | CN | disclosed |