Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMBS | P08397 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27643249 | 0.83 | ERCC1 (0.55) | HMBSACHEERCC1ERCC4SMN1; SMN2 | |
| SCHEMBL28240618 | 0.81 | NPC1 (0.47) | HMBSERCC1ERCC4SMN1; SMN2ALDH1A1 | |
| SCHEMBL6152314 | 0.81 | SMN1; SMN2 (0.42) | ACHETDP1NISCHLRRK2ICMT | |
| SCHEMBL1126714 | 0.80 | AURKA (0.50) | HMBSTDP1SMN1; SMN2MCL1NOTUM | |
| SCHEMBL4911972 | 0.76 | KIF11 (0.47) | MCL1ALDH1A1GAA | |
| SCHEMBL25364857 | 0.74 | MAPT (0.42) | TDP1SMN1; SMN2MCL1ALDH1A1GAA | |
| SCHEMBL17279792 | 0.74 | MAPT (0.42) | TDP1SMN1; SMN2MCL1ALDH1A1GAA | |
| SCHEMBL3287696 | 0.74 | ACHE (0.73) | ACHETDP1MCL1ALDH1A1 | |
| SCHEMBL18661495 | 0.74 | ACHE (0.73) | ACHETDP1MCL1ALDH1A1 | |
| SCHEMBL197731 | 0.74 | ACHE (0.73) | ACHETDP1MCL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109475526-A | Lactams for treatment of respiratory tract infections | 荷兰联合利华有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-109475525-A | 4- (4- chlorphenyl) -5- methylene-pyrroles -2- ketone and 5- methylene -4- (p-methylphenyl) pyrroles's -2- ketone are for treating gram-negative bacterial infections | 荷兰联合利华有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-109475527-A | Lactams for treatment of skin lesions | 荷兰联合利华有限公司 | 2019-03-15 | — | — | CN | disclosed |