Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | BCL9 | O00512 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7978990 | 0.87 | ALDH1A1 (0.50) | POLBKMT2AALDH1A1TDP1MAPT | |
| SCHEMBL7566464 | 0.79 | POLB (0.59) | POLBKMT2AALDH1A1TDP1MAPT | |
| SCHEMBL6141237 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTHTTRAB9AGAA | |
| Hydrochloric Acid SCHEMBL28288936 | 0.77 | KMT2A (0.46) | POLBKMT2AALDH1A1TDP1MAPT | |
| SCHEMBL28145792 | 0.77 | RAB9A (0.62) | POLBKMT2AALDH1A1MAPTHTT | |
| SCHEMBL9518662 | 0.76 | POLB (0.45) | POLBKMT2AALDH1A1TDP1MAPT | |
| SCHEMBL9518671 | 0.76 | POLB (0.45) | POLBKMT2AALDH1A1TDP1MAPT | |
| SCHEMBL17208795 | 0.75 | TSHR (0.47) | POLBKMT2AALDH1A1TDP1MAPT | |
| SCHEMBL9080129 | 0.75 | MAPT (0.52) | KMT2AALDH1A1TDP1MAPTCYP1A2 | |
| SCHEMBL11317000 | 0.73 | HTT (0.49) | POLBKMT2AALDH1A1TDP1MAPT |
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-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |