Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL991059 | 0.87 | CHRNB2 (0.57) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL10127404 | 0.83 | MMP13 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL13093377 | 0.82 | CYP4F2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL28189112 | 0.82 | TSHR (0.58) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL10127403 | 0.81 | HDAC1 (0.52) | TSHRHDAC1HDAC6 | |
| SCHEMBL2095210 | 0.80 | NPC1 (0.67) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL30513690 | 0.79 | HSP90AA1 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4TSHR | |
| SCHEMBL2095207 | 0.79 | NPC1 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL3267983 | 0.78 | MGLL (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4HPGD | |
| SCHEMBL18154134 | 0.78 | HDAC1 (0.62) | NPC1RAB9ATSHRKMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4439616-A | THERMAL CRACKING, ACID CATALYST | AMERICAN CYANAMID COMPANY (US) | 1984-03-27 | — | — | US | claimed |
| CN-104803905-B | A kind of method for synthesizing the ketone derivatives of isoindoline 1 | 复旦大学 | 2017-10-10 | — | — | CN | disclosed |
| US-7772351-B2 | grafted onto an ethylenically unsaturated monomer; paper, textile, detergents, paints; | COATEX S.A.S. (FR) | 2010-08-10 | — | — | US | disclosed |
| US-20060106186-A1 | grafted onto an ethylenically unsaturated monomer; paper, textile, detergents, paints; | COATEX S.A.S. (FR) | 2006-05-18 | — | — | US | disclosed |