Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | SAE1 | Q9UBE0 | 2/20 | 0.36 |
| ▸ | UBA2 | Q9UBT2 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13198262 | 0.85 | ESR1 (0.44) | ESR1ESR2CCNCCDK8LMNA | |
| SCHEMBL1485842 | 0.79 | MAPT (0.47) | LMNAHTTALDH1A1MAPTCYP3A4 | |
| SCHEMBL291602 | 0.78 | ALDH1A1 (0.52) | ESR1ESR2LMNAHTTHPGD | |
| SCHEMBL13754339 | 0.78 | TRPA1 (0.40) | ESR1ESR2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL8258347 | 0.76 | AOC1 (0.36) | ESR1ESR2CYP3A4TSHR | |
| SCHEMBL18951277 | 0.74 | MAPT (0.48) | LMNAHTTHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL4432091 | 0.73 | MAPT (0.44) | ESR1ESR2LMNAHPGDSMN1; SMN2 | |
| SCHEMBL15161552 | 0.73 | SHBG (0.48) | ESR1ESR2CCNCCDK8LMNA | |
| SCHEMBL6904047 | 0.73 | ESR1 (0.52) | ESR1ESR2ALDH1A1KDM4EMAPT | |
| SCHEMBL8732128 | 0.72 | TSHR (0.46) | LMNAHTTHPGDSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345894-A1 | COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY | Chen, Kuenfeng (TW) | 2018-07-11 | — | — | EP | disclosed |