Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | ESR1 | P03372 | 4/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5033118 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL441614 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL332733 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5085342 | 1.00 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL11320249 | 0.96 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.96 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Ethyne SCHEMBL5590651 | 0.93 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5576460-A | REACTING AM AMINE WITH AN AROMATIC COMPOUND USING A NICKEL OR PALLADIUM CATALYST | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1996-11-19 | — | — | US | claimed |