Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709157 | 0.84 | HTR2A (0.40) | TAAR1TSHRMAPK1HTR2AHTR2C | |
| SCHEMBL21709163 | 0.81 | ACHE (0.37) | HTR2ATRPV1 | |
| SCHEMBL21709160 | 0.81 | CA12 (0.35) | TRPV1 | |
| SCHEMBL21709064 | 0.77 | TAAR1 (0.58) | TAAR1TSHRMAPK1LMNAGLA | |
| SCHEMBL21708877 | 0.73 | HTR2A (0.39) | TAAR1TSHRMAPK1HTR2ALMNA | |
| SCHEMBL21709066 | 0.73 | KDM4E (0.51) | TAAR1TSHRMAPK1HTR2AHTR2C | |
| SCHEMBL21709214 | 0.72 | — | — | |
| SCHEMBL21708858 | 0.72 | HTR2A (0.42) | TAAR1HTR2AHTR2CHTR2BMAOB | |
| SCHEMBL20970882 | 0.71 | HTR2A (0.66) | TAAR1TSHRMAPK1HTR2AHTR2C | |
| SCHEMBL6660288 | 0.69 | ATM (0.68) | TAAR1TSHRMAPK1HTR2AHTR2C |
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 |