Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL258991 | 0.87 | HPGD (0.48) | CYP3A4CYP2D6CYP2C19HPGDPTPN1 | |
| SCHEMBL9814431 | 0.83 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL10764557 | 0.83 | PTPN1 (0.39) | CYP3A4CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL9391084 | 0.81 | MAPT (0.47) | CYP3A4HPGDPTPN1ALDH1A1UPP1 | |
| SCHEMBL12959081 | 0.80 | ALDH1A1 (0.57) | ALDH1A1LMNAHTT | |
| SCHEMBL1470081 | 0.78 | MGLL (0.46) | CYP3A4CYP2C19ALDH1A1SNCATAS1R3 | |
| Propene SCHEMBL1077347 | 0.77 | MGLL (0.43) | CYP2C19ALDH1A1SNCATAS1R3TAS1R1 | |
| SCHEMBL1052411 | 0.76 | CA1 (0.61) | CYP3A4HPGDALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL26810445 | 0.76 | SNCA (0.49) | CYP3A4ALDH1A1SNCATAS1R3TAS1R1 | |
| SCHEMBL26417020 | 0.76 | SNCA (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0211104-B1 | COMPOSITES | Nippon Shiken Dental Co., Ltd. (JP) | 1991-08-21 | — | — | EP | disclosed |
| US-4705836-A | Polymerization composition containing vinyl benzoic acid or a derivative thereof and a vinyl compound | NIPPON SHIKEN DENTAL CO., LTD. (JP) | 1987-11-10 | — | — | US | disclosed |
| EP-0211104-A2 | Composites | Nippon Shiken Dental Co., Ltd. (JP) | 1987-02-25 | — | — | EP | disclosed |