Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4851244 | 0.99 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL4848516 | 0.87 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTGAANPC1 | |
| SCHEMBL4251721 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL18092189 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTGAALMNA | |
| Hydrochloric Acid SCHEMBL4857637 | 0.85 | TSHR (0.46) | ALDH1A1KDM4EMAPTTDP1GAA | |
| Hydrochloric Acid SCHEMBL4857843 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTGAALMNA | |
| Hydrochloric Acid SCHEMBL4858439 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTSMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL4855234 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTTDP1GAA | |
| Hydrochloric Acid SCHEMBL4852441 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTTDP1GAA | |
| Hydrochloric Acid SCHEMBL4857486 | 0.82 | HTR1A (0.43) | ALDH1A1KDM4EMAPTTDP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1698620-B1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | EISAI R&D MAN CO LTD (JP) | 2016-09-28 | — | — | EP | disclosed |
| EP-1698620-A1 | BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS | Eisai Co., Ltd. (JP) | 2006-09-06 | — | — | EP | disclosed |