Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | EBP | Q15125 | 1/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10959196 | 0.82 | SIGMAR1 (0.70) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL21623605 | 0.80 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL21709061 | 0.80 | CA12 (0.46) | CYP1A2CYP3A4CYP2D6SIGMAR1EBP | |
| SCHEMBL8074993 | 0.78 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL10118317 | 0.76 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL7430428 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL8086550 | 0.76 | BLM (0.66) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL11517042 | 0.76 | SIGMAR1 (0.82) | SIGMAR1EBPTMEM97HTR2AHTR2C | |
| SCHEMBL11859766 | 0.76 | LYPLA1 (0.56) | CYP1A2CYP3A4CYP2D6BLMPMP22 | |
| SCHEMBL16641094 | 0.75 | CYP19A1 (0.77) | CYP1A2CYP3A4CYP2D6BLMPMP22 |
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 |