Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL11631624 | 0.89 | ALDH1A1 (0.37) | MLNRCA1CA2CA4KMT2A | |
| SCHEMBL9766521 | 0.84 | SLC6A2 (0.37) | CA1CA2CA4KMT2AHTR2A | |
| SCHEMBL24669981 | 0.74 | — | — | |
| SCHEMBL12681714 | 0.74 | KMT2A (0.33) | MLNRCA1CA2CA4KMT2A | |
| SCHEMBL3652550 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL6861565 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL9834070 | 0.69 | — | — | |
| SCHEMBL20008498 | 0.69 | ALDH1A1 (0.33) | CA1CA2CA4GHSR | |
| SCHEMBL5050328 | 0.69 | — | — | |
| SCHEMBL3647422 | 0.69 | — | — |
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-4105763-A | 1-Methyl-2-(phenyl-oxymethyl)-5-nitro-imidazoles | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-08-08 | — | — | US | disclosed |
| US-4078086-A | Anthraquinone-bis-amidines and process for preparing them | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-03-07 | — | — | US | disclosed |