Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | VDR | P11473 | 3/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1553828 | 0.85 | NPC1 (0.49) | NPC1TP53RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL9831245 | 0.81 | KDM4E (0.52) | IKBKBNPC1RAB9ATSHRNFKB1 | |
| SCHEMBL6377222 | 0.81 | KDM4E (0.51) | IKBKBNPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL9832652 | 0.81 | NOTUM (0.44) | IKBKBNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL5536101 | 0.80 | NPC1 (0.53) | IKBKBNPC1TP53RAB9ATSHR | |
| SCHEMBL14019461 | 0.78 | ALDH1A1 (0.44) | IKBKBNPC1TP53RAB9ATSHR | |
| SCHEMBL25180859 | 0.77 | MAPT (0.54) | IKBKBNPC1TP53RAB9ATSHR | |
| SCHEMBL5540607 | 0.77 | NPC1 (0.50) | IKBKBNPC1TP53RAB9ATSHR | |
| SCHEMBL9829580 | 0.77 | VDR (0.48) | IKBKBVDRPPARDESR1THRA | |
| SCHEMBL8989246 | 0.74 | IKBKB (0.49) | IKBKBNPC1TP53RAB9ATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| EP-0220573-A1 | Heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1987-05-06 | — | — | EP | disclosed |