Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25918085 | 0.95 | ALDH1A1 (0.61) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL420011 | 0.88 | ALDH1A1 (0.78) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL5143403 | 0.86 | ALDH1A1 (0.75) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5167895 | 0.85 | ALDH1A1 (0.74) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL5169003 | 0.85 | ALDH1A1 (0.74) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL1931125 | 0.83 | ALDH1A1 (0.78) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL2860864 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL29027435 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL9770300 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 | |
| SCHEMBL8082721 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC1HDAC2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021041583-A1 | COMPOUNDS TO IDENTIFY BETA-LACTAMASES, AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-03-04 | — | — | WO | disclosed |