Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | RAF1 | P04049 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL242546 | 0.92 | TSHR (0.72) | TSHRCES2CES1ALDH1A1MAPT | |
| SCHEMBL30270576 | 0.92 | TSHR (0.72) | TSHRCES2CES1ALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL27639793 | 0.91 | TSHR (0.70) | TSHRCES2CES1ALDH1A1MAPT | |
| SCHEMBL922714 | 0.91 | VCAM1 (0.77) | VCAM1LMNAALDH1A1MAPTHPGD | |
| SCHEMBL844701 | 0.79 | TSHR (0.72) | TSHRALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL239454 | 0.79 | VCAM1 (0.74) | VCAM1LMNAALDH1A1MAPTHPGD | |
| SCHEMBL30811551 | 0.79 | VCAM1 (0.74) | VCAM1LMNAALDH1A1MAPTHPGD | |
| SCHEMBL1896442 | 0.79 | ALDH1A1 (0.53) | VCAM1TSHRALDH1A1MAPTL3MBTL1 | |
| SCHEMBL1258621 | 0.79 | VCAM1 (1.00) | VCAM1LMNAALDH1A1MAPTHPGD | |
| SCHEMBL17303445 | 0.79 | TSHR (0.77) | VCAM1TSHRCES2CES1LMNA |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |