Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5929556 | 0.88 | L3MBTL1 (0.52) | SMN1; SMN2L3MBTL1ALDH1A1TSHRBLM | |
| SCHEMBL6570728 | 0.88 | L3MBTL1 (0.52) | SMN1; SMN2L3MBTL1ALDH1A1TSHRBLM | |
| SCHEMBL29288576 | 0.84 | SMN1; SMN2 (0.47) | SMN1; SMN2L3MBTL1ALDH1A1CYP1A2TSHR | |
| SCHEMBL28291731 | 0.82 | SMN1; SMN2 (0.46) | SMN1; SMN2L3MBTL1ALDH1A1CYP1A2TSHR | |
| SCHEMBL4491943 | 0.81 | CETP (0.45) | SMN1; SMN2L3MBTL1ALDH1A1TSHRBLM | |
| SCHEMBL28291723 | 0.80 | LMNA (0.50) | SMN1; SMN2L3MBTL1ALDH1A1CYP1A2BLM | |
| SCHEMBL28293345 | 0.79 | TSHR (0.43) | SMN1; SMN2L3MBTL1CYP1A2TSHRBLM | |
| SCHEMBL23364963 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2L3MBTL1ALDH1A1CYP1A2BLM | |
| SCHEMBL12717402 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2L3MBTL1ALDH1A1CYP1A2BLM | |
| SCHEMBL29828412 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2L3MBTL1ALDH1A1CYP1A2BLM |
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-9969858-B2 | Metalloinsertor conjugates | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-05-15 | — | — | US | disclosed |