Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.40 |
| ▸ | HTR2C | P28335 | 4/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709153 | 0.84 | TAAR1 (0.36) | HTR2AHTR2CHTR2BMAOBKDM4E | |
| SCHEMBL21709156 | 0.80 | BCHE (0.36) | — | |
| SCHEMBL20970882 | 0.78 | HTR2A (0.66) | HTR2AHTR2CHTR2BKDM4EATM | |
| SCHEMBL21709090 | 0.75 | HTR2A (0.69) | HTR2AHTR2CHTR2BKDM4EATM | |
| SCHEMBL21709066 | 0.74 | KDM4E (0.51) | HTR2AHTR2CHTR2BMAOBKDM4E | |
| SCHEMBL21708858 | 0.73 | HTR2A (0.42) | HTR2AHTR2CHTR2BMAOBTAAR1 | |
| SCHEMBL21709155 | 0.72 | NFKB1 (0.35) | MAOBKDM4ETAAR1TSHRMAPK1 | |
| SCHEMBL21709064 | 0.72 | TAAR1 (0.58) | KDM4EATMTAAR1TSHRMAPK1 | |
| SCHEMBL21709213 | 0.71 | MAOB (0.30) | MAOB | |
| SCHEMBL6660288 | 0.70 | ATM (0.68) | HTR2AHTR2CHTR2BMAOBKDM4E |
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 |