Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.32 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.31 |
| ▸ | THPO | P40225 | 2/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529157 | 0.91 | IDO1 (0.36) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL28520992 | 0.91 | IDO1 (0.36) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL28520988 | 0.91 | IDO1 (0.36) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL28527892 | 0.89 | IDO1 (0.36) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL28523160 | 0.89 | IDO1 (0.36) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL28511497 | 0.89 | IDO1 (0.35) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL18427941 | 0.89 | IDO1 (0.40) | IDO1AAK1LMNAKMT2AATM | |
| SCHEMBL28527870 | 0.88 | IDO1 (0.35) | IDO1AAK1LMNAATMEGFR | |
| SCHEMBL28518465 | 0.88 | IDO1 (0.34) | IDO1AAK1LMNAATMEGFR | |
| SCHEMBL28518885 | 0.88 | IDO1 (0.35) | IDO1AAK1LMNAATMEGFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |