Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20161244 | 0.81 | CYP3A4 (0.38) | ALDH1A1CYP3A4TSHRRECQLCYP1A2 | |
| SCHEMBL21317742 | 0.80 | STAT3 (0.42) | ALDH1A1CYP3A4TSHRRECQLCYP1A2 | |
| SCHEMBL14413124 | 0.79 | LMNA (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL19936552 | 0.77 | CYP3A4 (0.35) | ALDH1A1CYP3A4TSHRRECQLMAPT | |
| SCHEMBL23733187 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL19936583 | 0.75 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL19707177 | 0.75 | IDO1 (0.40) | ALDH1A1CYP3A4TSHRRECQLSMN1; SMN2 | |
| SCHEMBL22368929 | 0.74 | IDO1 (0.33) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL8348988 | 0.74 | RAPGEF4 (0.52) | ALDH1A1CYP3A4TSHRRECQLSMN1; SMN2 | |
| SCHEMBL23642619 | 0.74 | MAPT (0.50) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 |
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-3663292-A1 | DIPHENYLMETHANE DERIVATIVE IN CRYSTALLINE FORM | Daewoong Pharmaceutical Co., Ltd. (KR) | 2020-06-10 | — | — | EP | disclosed |