Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | APEX1 | P27695 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD1 | P21728 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709072 | 0.89 | TAAR1 (0.55) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL10483834 | 0.79 | KDM4E (0.56) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| Hydrochloric Acid SCHEMBL16115113 | 0.78 | KDM4E (0.54) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL9405004 | 0.77 | KDM4E (0.46) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL21709073 | 0.76 | TAAR1 (0.50) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL9404992 | 0.75 | KDM4E (0.51) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL7441616 | 0.75 | ADRB2 (0.69) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL29934308 | 0.75 | ACHE (0.62) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL9404994 | 0.75 | KMT2A (0.53) | TSHRCYP1A2CYP3A4NFKB1KDM4E | |
| SCHEMBL9404861 | 0.75 | NUDT1 (0.47) | TSHRCYP1A2CYP3A4NFKB1KDM4E |
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 |