Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.73 |
| ▸ | ELANE | P08246 | 1/20 | 0.59 |
| ▸ | TOP1 | P11387 | 2/20 | 0.55 |
| ▸ | ESRRB | O95718 | 6/20 | 0.54 |
| ▸ | ESRRA | P11474 | 6/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12453674 | 0.86 | TOP1 (0.61) | ESR1ESR2ELANETOP1DHODH | |
| SCHEMBL3927237 | 0.85 | ESR1 (1.00) | ESR1ESR2ELANETOP1ESRRB | |
| SCHEMBL3925261 | 0.85 | ESR1 (0.85) | ESR1ESR2ESRRBESRRA | |
| SCHEMBL28349800 | 0.84 | DHODH (0.61) | ESR1ESR2ELANETOP1DHODH | |
| SCHEMBL7611160 | 0.83 | TOP1 (0.66) | TOP1DHODHMAPK1KDM4EALDH1A1 | |
| SCHEMBL29397116 | 0.83 | TOP1 (0.66) | TOP1DHODHMAPK1KDM4EALDH1A1 | |
| SCHEMBL28251705 | 0.83 | TOP1 (0.66) | TOP1DHODHMAPK1KDM4EALDH1A1 | |
| SCHEMBL6660161 | 0.82 | ESR1 (0.65) | ESR1ESR2ELANEESRRBESRRA | |
| SCHEMBL21799192 | 0.82 | ALDH1A1 (0.72) | ESR1ESR2TOP1DHODHMEN1 | |
| SCHEMBL6663329 | 0.82 | ESR1 (0.69) | ESR1ESR2ELANEESRRBESRRA |
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 |