Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 6/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9826368 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD | |
| SCHEMBL28111 | 0.77 | ALDH1A1 (0.60) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD | |
| SCHEMBL9127225 | 0.65 | KCNA3 (0.78) | ALDH1A1KCNA3MAPK1MAPT | |
| SCHEMBL30096399 | 0.64 | CYP3A4 (0.68) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD | |
| SCHEMBL11539828 | 0.64 | KCNA3 (0.60) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD | |
| SCHEMBL30973566 | 0.63 | CYP3A4 (0.43) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD | |
| SCHEMBL10821323 | 0.63 | KCNA3 (0.78) | KCNA3 | |
| Isopimpinellin SCHEMBL29568822 | 0.63 | CYP3A4 (1.00) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD | |
| Dictamnine SCHEMBL1760700 | 0.63 | POLB (0.65) | CYP3A4CYP1A2HPGDKDM4EPOLB | |
| Isopimpinellin SCHEMBL498907 | 0.63 | CYP3A4 (1.00) | CYP3A4CYP1A1CYP1B1CYP1A2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |