Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779135 | 0.85 | ALDH1A1 (0.50) | CYP3A4HSP90AA1HSP90AB1ALDH1A1TSHR | |
| SCHEMBL28202577 | 0.77 | ESR2 (0.77) | ESR2CYP3A4ESR1HSD17B1HSD17B2 | |
| SCHEMBL278316 | 0.77 | ESR2 (0.77) | ESR2CYP3A4ESR1HSD17B1HSD17B2 | |
| SCHEMBL29911026 | 0.77 | ESR2 (0.77) | ESR2CYP3A4ESR1HSD17B1HSD17B2 | |
| SCHEMBL7153357 | 0.77 | ALDH1A1 (0.64) | CYP3A4HSP90AA1ALDH1A1TSHRTDP1 | |
| SCHEMBL11547210 | 0.77 | ALDH1A1 (0.64) | CYP3A4HSP90AA1ALDH1A1TSHRTDP1 | |
| SCHEMBL10355424 | 0.75 | ALDH1A1 (0.52) | ESR2CYP3A4ESR1HSP90AA1ALDH1A1 | |
| SCHEMBL9320695 | 0.75 | ALDH1A1 (0.56) | CYP3A4HSP90AA1ALDH1A1TSHRTDP1 | |
| Methane SCHEMBL10594573 | 0.74 | ESR2 (0.74) | ESR2ESR1HSD17B1HSD17B2TSHR | |
| Ether SCHEMBL3756308 | 0.74 | ESR2 (0.57) | ESR2CYP3A4CYP17A1ESR1HSP90AA1 |
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-5558700-A | QUINAZOLENE OR PYRIDINE ELECTRON DONOR, ELECTRON ACCEPTOR | THE PILOT INK CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |