Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 0.77 |
| ▸ | RAB9A | P51151 | 1/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | ANPEP | P15144 | 3/20 | 0.61 |
| ▸ | DPP4 | P27487 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.53 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.53 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31012107 | 0.95 | ESR1 (0.90) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL9630819 | 0.95 | ESR1 (0.90) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL15436400 | 0.91 | ESR1 (0.84) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL759648 | 0.90 | ESR1 (0.81) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL1662738 | 0.89 | ESR1 (0.80) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL8615277 | 0.87 | ESR1 (1.00) | ESR1NPC1RAB9AESR2POLB | |
| SCHEMBL16521526 | 0.87 | NPC1 (1.00) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL2631561 | 0.87 | ESR1 (0.77) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL7360727 | 0.87 | ESR1 (0.77) | ESR1NPC1RAB9AESR2KDM4E | |
| SCHEMBL24149295 | 0.85 | MEN1 (0.74) | ESR1NPC1RAB9AESR2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107674205-B | Thermosetting wholly aromatic polyester imide liquid crystal and preparation method thereof | 苏州大学 | 2020-06-16 | — | — | CN | disclosed |
| US-5246751-A | Poly(hydroxy ether imides) as barrier packaging materials | THE DOW CHEMICAL COMPANY (US) | 1993-09-21 | — | — | US | disclosed |