Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9230053 | 0.88 | HTR2A (0.48) | HTR2ACYP1A2CYP3A4KDM4ECYP2D6 | |
| SCHEMBL8716646 | 0.86 | HTR2A (0.53) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| SCHEMBL8711392 | 0.86 | HTR2A (0.53) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| SCHEMBL8715718 | 0.86 | HTR2A (0.61) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| SCHEMBL8712117 | 0.85 | HSD11B1 (0.59) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| SCHEMBL8713822 | 0.84 | HTR2A (0.51) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| Oxalic Acid SCHEMBL9230555 | 0.84 | HTR2A (0.53) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| Oxalic Acid SCHEMBL9232796 | 0.84 | HTR2A (0.53) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E | |
| SCHEMBL9229363 | 0.84 | MEN1 (0.49) | HTR2ACYP1A2CYP3A4KDM4ECYP2D6 | |
| SCHEMBL9232680 | 0.83 | HSD11B1 (0.56) | HTR2AHSD11B1CYP1A2CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |