Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.32 |
| ▸ | MMEL1 | Q495T6 | 2/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28523160 | 0.97 | IDO1 (0.36) | IDO1CACNA1BAAK1MMEL1MME | |
| SCHEMBL28527892 | 0.97 | IDO1 (0.36) | IDO1CACNA1BAAK1MMEL1MME | |
| SCHEMBL28518465 | 0.90 | IDO1 (0.34) | IDO1AAK1LMNAKLK5ATM | |
| SCHEMBL28511526 | 0.90 | IDO1 (0.38) | IDO1CACNA1BAAK1ITGA4ITGB7 | |
| SCHEMBL18428090 | 0.90 | IDO1 (0.38) | IDO1CACNA1BAAK1ITGA4ITGB7 | |
| SCHEMBL28518885 | 0.88 | IDO1 (0.35) | IDO1AAK1LMNAKLK5ATM | |
| SCHEMBL28527870 | 0.88 | IDO1 (0.35) | IDO1AAK1LMNAKLK5ATM | |
| SCHEMBL28514878 | 0.86 | IDO1 (0.36) | IDO1AAK1LMNAKLK5ATM | |
| SCHEMBL28520992 | 0.86 | IDO1 (0.36) | IDO1AAK1LMNAKLK5ATM | |
| SCHEMBL28520988 | 0.86 | IDO1 (0.36) | IDO1AAK1LMNAKLK5ATM |
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 |