Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL104024 | 0.97 | TDP1 (0.45) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| SCHEMBL3323494 | 0.94 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| Hydrochloric Acid SCHEMBL8106508 | 0.94 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| SCHEMBL10605346 | 0.94 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| SCHEMBL9803953 | 0.94 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| SCHEMBL1534405 | 0.94 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| SCHEMBL9764212 | 0.94 | TDP1 (0.43) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| Hydrochloric Acid SCHEMBL2037899 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| Hydrochloric Acid SCHEMBL1258765 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2TRPA1 | |
| Hydrochloric Acid SCHEMBL4444427 | 0.92 | TDP1 (0.41) | TDP1CYP3A4ESR1ESR2TRPA1 |
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-5018380-A | Organometallic gas carrier in interpenetrating polymer network | ALLIED-SIGNAL INC. (US) | 1991-05-28 | — | — | US | disclosed |
| US-4627859-A | ORGANOMETALLIC GAS CARRIER INTERDISPERSED IN INTERPENE TRATING POLYMER NETWORK MATRIX | ALLIED CORPORATION (US) | 1986-12-09 | — | — | US | disclosed |