Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.80 |
| ▸ | ESR1 | P03372 | 4/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Fluoromethane SCHEMBL28825689 | 0.97 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Iodomethane SCHEMBL114985 | 0.87 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL21084295 | 0.87 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Chloromethane SCHEMBL248726 | 0.87 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL22023055 | 0.87 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL7038807 | 0.87 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-103038243-A | Method for monofluoromethylation of organic substrates to prepare biologically active organic compounds | HOVIONE INT LTD | 2013-04-10 | — | — | CN | claimed |
| CN-103038243-A | Method for monofluoromethylation of organic substrates to prepare biologically active organic compounds | HOVIONE INT LTD | 2013-04-10 | — | — | CN | disclosed |