Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL329691 | 0.83 | CYP1A2 (0.50) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL2200962 | 0.82 | NCF1 (0.41) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL156070 | 0.81 | ALDH1A1 (0.48) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL14194322 | 0.81 | NCF1 (0.43) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL5609339 | 0.81 | NCF1 (0.43) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL4011347 | 0.81 | PTGS2 (0.49) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL645967 | 0.81 | NCF1 (0.48) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL546320 | 0.81 | MGAM (0.47) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL6833107 | 0.79 | NCF1 (0.42) | NCF1CYP1A2NOS2BACE1CA12 | |
| SCHEMBL28514007 | 0.79 | MGAM (0.46) | NCF1CYP1A2NOS2BACE1CA12 |
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-4061639-A | MICROBIOCIDES | THE DOW CHEMICAL COMPANY (US) | 1977-12-06 | — | — | US | disclosed |
| US-4061639-A | MICROBIOCIDES | THE DOW CHEMICAL COMPANY (US) | 1977-12-06 | — | — | US | disclosed |