Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1R | P00736 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21480791 | 0.85 | CYP1A2 (0.48) | CYP1A2CYP2A6GPR3ABL1ABCB1 | |
| SCHEMBL11281941 | 0.80 | HTR7 (0.58) | CYP1A2CYP2A6CYP2C19CYP2C9HDAC4 | |
| SCHEMBL851675 | 0.77 | ELANE (0.45) | C1RCYP1A2CYP2A6PDK2KDM4E | |
| SCHEMBL24017192 | 0.76 | SHMT2 (0.40) | CYP1A2CYP2A6CYP2C19CYP2C9CYP11B1 | |
| SCHEMBL7121378 | 0.76 | CA1 (0.48) | CYP1A2CYP2A6CYP2C19CYP2C9ACHE | |
| SCHEMBL11242972 | 0.76 | BACE1 (0.51) | CYP1A2CYP2A6ABL1ABCB1BCR | |
| SCHEMBL4224633 | 0.76 | BACE1 (0.51) | CYP1A2CYP2A6ABL1ABCB1BCR | |
| SCHEMBL1723322 | 0.75 | ACHE (0.52) | CYP1A2CYP2A6CYP2C19CYP2C9GAA | |
| SCHEMBL25800817 | 0.75 | C1R (0.48) | C1RGAANPC1ALDH1A1RAB9A | |
| SCHEMBL3459253 | 0.74 | CA12 (0.46) | CYP1A2CYP2A6GAAACHEKDM4E |
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-3162822-B1 | MONOMER COMPOSITION AND CURABLE COMPOSITION CONTAINING SAME | DAICEL CORP (JP) | 2020-08-26 | — | — | EP | disclosed |