Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.69 |
| ▸ | HTR2C | P28335 | 2/20 | 0.69 |
| ▸ | HTR2B | P41595 | 2/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Mescaline SCHEMBL34190 | 0.82 | HTR2A (1.00) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| Mescaline SCHEMBL25170531 | 0.82 | HTR2A (1.00) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| Mescaline SCHEMBL3219304 | 0.81 | HTR2A (0.96) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| Mescaline SCHEMBL25272711 | 0.81 | HTR2A (0.96) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| SCHEMBL21709077 | 0.79 | CA12 (0.43) | HTR2AHTR2CHTR2BCYP19A1ATM | |
| Hydrochloric Acid SCHEMBL25179876 | 0.78 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| SCHEMBL20970882 | 0.77 | HTR2A (0.66) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| SCHEMBL11291141 | 0.76 | HTR2A (0.79) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| Mescaline SCHEMBL6056084 | 0.76 | HTR2A (0.85) | HTR2AHTR2CHTR2BCYP19A1KDM4E | |
| SCHEMBL1159408 | 0.76 | HTR2A (0.79) | HTR2AHTR2CHTR2BCYP19A1KDM4E |
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 |