Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRB | O95718 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESRRA | P11474 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6765981 | 0.83 | ESR1 (0.39) | ESRRBESR1ESRRAESR2L3MBTL1 | |
| SCHEMBL25174784 | 0.80 | ALDH1A1 (0.48) | ESRRBESR1ESRRAESR2KDM4E | |
| SCHEMBL30368885 | 0.80 | ALDH1A1 (0.48) | ESRRBESR1ESRRAESR2KDM4E | |
| SCHEMBL6766208 | 0.79 | LMNA (0.56) | ESRRBESR1ESRRAESR2L3MBTL1 | |
| SCHEMBL12638631 | 0.79 | CYP1A2 (0.52) | MAPK1KDM4EGAAALDH1A1CYP3A4 | |
| SCHEMBL9724225 | 0.78 | ALDH1A1 (0.39) | ESRRBESR1ESRRAESR2L3MBTL1 | |
| SCHEMBL9380126 | 0.76 | LMNA (0.62) | L3MBTL1KDM4EGAARXFP1ALDH1A1 | |
| SCHEMBL9724145 | 0.76 | KDM4E (0.38) | L3MBTL1TSHRKDM4EGAAALDH1A1 | |
| SCHEMBL9724218 | 0.74 | DOT1L (0.49) | ESR1ESR2KDM4EALDH1A1KMT2A | |
| SCHEMBL9724298 | 0.74 | MAPT (0.40) | L3MBTL1KDM4EGAANPSR1RXFP1 |
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-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |
| EP-0318225-A2 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |