Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Neocuproine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.88 |
| ▸ | RAB9A | P51151 | 1/20 | 0.88 |
| ▸ | CCR5 | P51681 | 1/20 | 0.88 |
| ▸ | METAP2 | P50579 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Neocuproine SCHEMBL2415313 | 0.94 | CCR1 (0.88) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL4394429 | 0.94 | CCR1 (0.88) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL11672280 | 0.94 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL124563 | 0.94 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL29367091 | 0.94 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL29639703 | 0.94 | CCR1 (1.00) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL870750 | 0.91 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL5385744 | 0.91 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL1462062 | 0.91 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 | |
| Neocuproine SCHEMBL229136 | 0.91 | CCR1 (0.94) | CCR1RAB9ACCR5METAP2PARP1 |
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-7629431-B2 | Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20080064847-A1 | Oxidative carbonylation; molecular weight control | IDEMISU KOSAN CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |