Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.49 |
| ▸ | RECQL | P46063 | 8/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | BLM | P54132 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.49 |
| ▸ | APEX1 | P27695 | 3/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709055 | 0.85 | NFKB1 (0.41) | TDP1KDM4ERECQLMAPTBLM | |
| SCHEMBL21708868 | 0.80 | MAPT (0.41) | TDP1KDM4ERECQLMAPTBLM | |
| SCHEMBL21708870 | 0.80 | TDP1 (0.34) | TDP1KDM4ERECQLMAPTBLM | |
| SCHEMBL21708883 | 0.78 | — | — | |
| SCHEMBL21709063 | 0.77 | MAOB (0.36) | LMNAKMT2AHPGDTSHR | |
| SCHEMBL9580100 | 0.75 | TDP1 (0.56) | TDP1KDM4ERECQLMAPTBLM | |
| SCHEMBL21709149 | 0.74 | ADRB2 (0.33) | TDP1KDM4ERECQLMAPTBLM | |
| Hydrochloric Acid SCHEMBL30252423 | 0.73 | KDM4E (0.55) | TDP1KDM4ERECQLMAPTBLM | |
| SCHEMBL12610447 | 0.71 | TDP1 (0.51) | TDP1KDM4ERECQLMAPTBLM | |
| SCHEMBL19546076 | 0.70 | CHRNB2 (0.46) | BLMLMNAKMT2AMEN1ADORA3 |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |