Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | MAP2 | P11137 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | DDO | Q99489 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL378030 | 0.79 | MAPT (0.65) | ESR1ESR2AHRKMT2AEGFR | |
| SCHEMBL10647311 | 0.78 | KMT2A (0.50) | ESR1ESR2AHRKMT2AEGFR | |
| SCHEMBL1260425 | 0.75 | CYP11B1 (0.66) | ESR1ESR2AHRKMT2ACYP11B1 | |
| SCHEMBL17383846 | 0.73 | IMPDH2 (0.73) | ESR1ESR2AHRKMT2AEGFR | |
| SCHEMBL8987076 | 0.71 | MAPT (0.60) | ESR1ESR2KMT2AEGFRALDH1A1 | |
| SCHEMBL10648932 | 0.71 | AHR (0.50) | AHRKMT2AALDH1A1HPGDRXFP1 | |
| SCHEMBL30350427 | 0.70 | ESR1 (0.87) | ESR1ESR2KMT2AEGFRALDH1A1 | |
| SCHEMBL20816228 | 0.70 | ESR1 (0.87) | ESR1ESR2KMT2AEGFRALDH1A1 | |
| SCHEMBL7195762 | 0.69 | AHR (0.70) | ESR1ESR2AHRKMT2ACYP11B1 | |
| SCHEMBL29799621 | 0.69 | ESR1 (1.00) | ESR1ESR2EGFRALDH1A1HPGD |
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-0093521-B1 | QUINOLINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-24 | — | — | EP | disclosed |
| US-4607039-A | 2-(AMINO-ALKYL-THIO OR -OXY) SUBSTITUTED | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-08-19 | — | — | US | disclosed |
| EP-0093521-A2 | Quinoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-11-09 | — | — | EP | disclosed |