Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5887155 | 0.93 | NOTUM (0.36) | NR1I3NOTUMNPC1TSHRSMN1; SMN2 | |
| SCHEMBL5887105 | 0.91 | ESR2 (0.35) | NR1I3NOTUMTP53NPC1TSHR | |
| SCHEMBL5887750 | 0.87 | MAPK10 (0.38) | NR1I3NOTUMMAPK10MAPTMAPK9 | |
| SCHEMBL6047660 | 0.84 | ALDH1A1 (0.40) | NR1I3TP53NPC1NFKB1RAB9A | |
| SCHEMBL5887288 | 0.83 | ALDH1A3 (0.41) | SMN1; SMN2MAOBMAPK14 | |
| SCHEMBL5887199 | 0.83 | KMT2A (0.35) | TP53NPC1RAB9ASMN1; SMN2MAPK10 | |
| SCHEMBL6416879 | 0.79 | HPGD (0.32) | TP53 | |
| SCHEMBL5887353 | 0.78 | MEN1 (0.35) | TP53NPC1TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL5887285 | 0.76 | ALKBH3 (0.44) | TP53NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL5887667 | 0.76 | NPC1 (0.39) | TP53NPC1TSHRRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |