Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL301136 | 0.76 | CYP3A4 (0.39) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL301154 | 0.76 | TDP1 (0.39) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL29193729 | 0.75 | CA1 (0.42) | TDP1MAOASLC6A4 | |
| SCHEMBL10412405 | 0.74 | TDP1 (0.38) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL12347960 | 0.74 | TDP1 (0.38) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL8013850 | 0.73 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL20377375 | 0.73 | TDP1 (0.36) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1582787 | 0.73 | TDP1 (0.36) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL28897740 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL1456673 | 0.73 | TDP1 (0.36) | TDP1CYP3A4TAAR1SLC6A2SIGMAR1 |
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-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | claimed |
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | disclosed |