Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 10/20 | 0.34 |
| ▸ | MAPT | P10636 | 9/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.34 |
| ▸ | RECQL | P46063 | 7/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.34 |
| ▸ | APEX1 | P27695 | 4/20 | 0.34 |
| ▸ | BLM | P54132 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | DRD1 | P21728 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709058 | 0.87 | CYP3A4 (0.31) | CYP3A4TSHRNFKB1 | |
| SCHEMBL21708884 | 0.80 | — | — | |
| SCHEMBL21708869 | 0.80 | TDP1 (0.49) | TDP1MAPTKDM4ERECQLKMT2A | |
| SCHEMBL21709059 | 0.80 | MAOB (0.32) | LMNAHPGDTSHR | |
| SCHEMBL21709085 | 0.78 | PPARG (0.38) | TDP1TSHRHIF1AALDH1A1 | |
| SCHEMBL21709143 | 0.77 | — | — | |
| SCHEMBL21708868 | 0.75 | MAPT (0.41) | TDP1MAPTKDM4ERECQLKMT2A | |
| SCHEMBL21708863 | 0.75 | ALOX15 (0.31) | TSHRALOX12ALOX15 | |
| SCHEMBL21709217 | 0.72 | — | — | |
| SCHEMBL21709057 | 0.70 | CYP3A4 (0.40) | TDP1MAPTKDM4ERECQLKMT2A |
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 |