Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | F2 | P00734 | 3/20 | 0.49 |
| ▸ | F10 | P00742 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5700957 | 0.94 | ALDH1A1 (0.64) | ALDH1A1KDM4EHTTF2F10 | |
| SCHEMBL7141857 | 0.86 | F2 (0.55) | ALDH1A1KDM4EF2F10CYP1A2 | |
| SCHEMBL28642234 | 0.86 | F2 (0.55) | ALDH1A1KDM4EF2F10CYP1A2 | |
| SCHEMBL31339242 | 0.85 | F2 (0.46) | ALDH1A1KDM4EHTTF2F10 | |
| SCHEMBL393911 | 0.85 | GABBR2 (0.58) | ALDH1A1F2F10LMNACYP1A2 | |
| SCHEMBL2386276 | 0.83 | GABBR2 (0.57) | KDM4ELMNACYP1A2CYP3A4POLB | |
| SCHEMBL5700968 | 0.81 | GAA (0.41) | ALDH1A1KDM4EHTTLMNACYP1A2 | |
| SCHEMBL232194 | 0.80 | F2 (0.59) | ALDH1A1F2F10CYP1A2CYP3A4 | |
| SCHEMBL27535041 | 0.80 | MAPT (0.62) | ALDH1A1KDM4EHTTF2F10 | |
| SCHEMBL5691956 | 0.80 | ALDH1A1 (0.59) | ALDH1A1KDM4EHTTF2F10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1027328-B1 | SUBSTITUTED ANILIDES | AVENTIS PHARMA LTD (GB) | 2006-08-23 | — | — | EP | disclosed |
| US-6479519-B1 | INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE | AVENTIS PHARMA LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |
| CN-1080720-C | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-13 | — | — | CN | disclosed |
| CN-1224718-A | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 1999-08-04 | — | — | CN | disclosed |