Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MPL | P40238 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8070009 | 0.87 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL12437027 | 0.84 | RARB (0.55) | ALDH1A1SMN1; SMN2TSHRMAPK1THRA | |
| SCHEMBL2913907 | 0.84 | RARB (0.55) | ALDH1A1SMN1; SMN2TSHRMAPK1THRA | |
| SCHEMBL13657327 | 0.82 | THRA (0.58) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL4185231 | 0.82 | SMN1; SMN2 (0.48) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL2918327 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL2915987 | 0.78 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL51732 | 0.78 | THRA (0.61) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL306032 | 0.77 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL16810689 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 |
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-1388538-B1 | Polymerisation Initiator | MERCK PATENT GMBH (DE) | 2010-09-01 | — | — | EP | disclosed |
| EP-1388538-A1 | Polymerisation Initiator | MERCK PATENT GmbH (DE) | 2004-02-11 | — | — | EP | disclosed |