Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | DHODH | Q02127 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10039087 | 0.85 | BACE1 (0.62) | ESR1ESR2MAOAMAOBBACE1 | |
| SCHEMBL12970466 | 0.83 | ESR2 (0.74) | ESR1ESR2MAOAMAOBBACE1 | |
| SCHEMBL26613560 | 0.82 | BACE1 (0.52) | ESR1ESR2MAOAMAOBBACE1 | |
| SCHEMBL8956223 | 0.82 | BACE1 (0.51) | MAOAMAOBBACE1AR | |
| SCHEMBL10039088 | 0.82 | MAOA (0.57) | ESR1ESR2MAOAMAOBBACE1 | |
| SCHEMBL17689179 | 0.79 | ESR1 (0.80) | ESR1ESR2BACE1MAPTALDH1A1 | |
| SCHEMBL11811065 | 0.79 | CYP1A2 (0.52) | ESR1ESR2BACE1DHODHMAPT | |
| SCHEMBL11088632 | 0.77 | ESR2 (0.51) | ESR1ESR2MAOAMAOBBACE1 | |
| SCHEMBL10864853 | 0.77 | ESR1 (0.58) | ESR1ESR2DHODHALDH1A1HPGD | |
| SCHEMBL13399634 | 0.77 | NPC1 (0.46) | ESR1ESR2MAOAMAOBBACE1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532374-A | Method of preparation of bis-quinolines | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1996-07-02 | — | — | US | disclosed |