Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PAM | P19021 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11267412 | 0.78 | RPS27 (0.35) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL11267417 | 0.78 | RPS27 (0.35) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL12968418 | 0.76 | TSHR (0.44) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL4901564 | 0.72 | SMN1; SMN2 (0.47) | ALDH1A1CES2CES1TSHRMAPK1 | |
| SCHEMBL12449495 | 0.72 | SMN1; SMN2 (0.47) | ALDH1A1CES2CES1TSHRMAPK1 | |
| SCHEMBL11783878 | 0.72 | CES1 (0.41) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL11131332 | 0.72 | CES1 (0.41) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL11783874 | 0.72 | CES1 (0.41) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL11759060 | 0.71 | CES1 (0.40) | ALDH1A1CES2CES1AKR1B1TSHR | |
| SCHEMBL11759050 | 0.71 | CES1 (0.40) | ALDH1A1CES2CES1AKR1B1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4319024-A | ALKYLATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |