Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709103 | 0.80 | HTR2C (0.57) | CYP2D6MEN1HTR2CKMT2ANPSR1 | |
| SCHEMBL25057132 | 0.79 | HTR2C (0.68) | KDM4ECYP2D6MEN1HTR2CKMT2A | |
| SCHEMBL21709097 | 0.77 | HTR1D (0.45) | CYP2D6HTR2CCYP1A2HSD17B10HTR2A | |
| SCHEMBL26989205 | 0.75 | HTR2A (0.70) | KDM4EMEN1KMT2ACYP1A2HTR2A | |
| SCHEMBL26989142 | 0.75 | MTNR1A (0.60) | HTR2CMTNR1AMTNR1BHPGDHTR2A | |
| SCHEMBL29206374 | 0.74 | MPO (0.73) | KMT2AMTNR1AMTNR1BHTR2AMPO | |
| SCHEMBL21709148 | 0.73 | ACHE (0.35) | HTR2CHTR2AMPO | |
| SCHEMBL21709099 | 0.72 | HTR2A (0.46) | KDM4ECYP2D6MEN1HTR2CKMT2A | |
| SCHEMBL31708144 | 0.71 | HTR2A (0.70) | KDM4EMEN1HTR2CKMT2ANPSR1 | |
| SCHEMBL26989179 | 0.68 | HTR2C (0.63) | KDM4ECYP2D6MEN1HTR2CKMT2A |
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 |