Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 18/20 | 0.65 |
| ▸ | ESRRB | O95718 | 6/20 | 0.50 |
| ▸ | ESRRA | P11474 | 6/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663329 | 0.88 | ESR1 (0.69) | ESR1ESR2ESRRBESRRAELANE | |
| SCHEMBL28252108 | 0.83 | ACHE (0.54) | — | |
| SCHEMBL6662078 | 0.82 | ESR1 (0.73) | ESR1ESR2ESRRBESRRAELANE | |
| SCHEMBL8956150 | 0.82 | MAPK1 (0.63) | ESR1ESR2ELANE | |
| SCHEMBL3927237 | 0.79 | ESR1 (1.00) | ESR1ESR2ESRRBESRRAELANE | |
| SCHEMBL3929568 | 0.77 | ESR1 (0.76) | ESR1ESR2ESRRBESRRA | |
| SCHEMBL13458667 | 0.76 | MAP4K1 (0.46) | MEN1KMT2A | |
| SCHEMBL6665622 | 0.76 | ESR1 (0.48) | ESR1ESR2ESRRBESRRAMEN1 | |
| SCHEMBL6534483 | 0.75 | ESR1 (0.84) | ESR1ESR2ESRRBESRRAELANE | |
| SCHEMBL6666467 | 0.74 | TOP1 (0.44) | ELANEMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861864-B1 | Method of preparation of polyquinolines | HITACHI CHEMICAL CO LTD (JP) | 2004-08-25 | — | — | EP | disclosed |
| EP-0861864-A2 | Method of preparation of polyquinolines | HITACHI CHEMICAL CO., LTD. (JP) | 1998-09-02 | — | — | EP | disclosed |
| US-5786071-A | Method of preparation of polyquinolines | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| US-5723573-A | ACETYLENIC END GROUPS | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-03-03 | — | — | US | disclosed |
| US-5648448-A | Method of preparation of polyquinolines | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1997-07-15 | — | — | US | disclosed |