Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861544 | 0.88 | TDP1 (0.67) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Ethane SCHEMBL27526681 | 0.87 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL1930070 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromomethane SCHEMBL3346 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL22023055 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL21084295 | 0.84 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0621075-B1 | Process for reversibly ionising or de-ionising a rhodium -containing catalyst and its use in hydroformlyation. | KURARAY CO (JP) | 1998-07-22 | — | — | EP | disclosed |
| US-5434311-A | Rhodium-containing catalyst | KURARAY CO., LTD. (JP) | 1995-07-18 | — | — | US | disclosed |
| EP-0621075-A2 | Novel rhodium-containing catalyst | KURARAY CO., LTD. (JP) | 1994-10-26 | — | — | EP | disclosed |