Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2235302 | 0.84 | AHR (0.59) | AHRTP53NPC1ALDH1A1HPGD | |
| SCHEMBL5540236 | 0.80 | CYP2A6 (0.58) | HSD11B1 | |
| SCHEMBL5544016 | 0.78 | AHR (0.57) | AHRTP53NPC1ALDH1A1HPGD | |
| SCHEMBL5536643 | 0.78 | AHR (0.43) | AHRTP53ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2088470 | 0.77 | ALOX5 (0.52) | TP53NPC1ALDH1A1TSHRRAB9A | |
| SCHEMBL510771 | 0.77 | AHR (0.61) | AHRTP53NPC1ALDH1A1HPGD | |
| SCHEMBL29788257 | 0.77 | AHR (0.61) | AHRTP53NPC1ALDH1A1HPGD | |
| SCHEMBL3480906 | 0.77 | ALDH1A1 (0.54) | AHRTP53NPC1ALDH1A1HPGD | |
| SCHEMBL16143069 | 0.77 | AHR (0.52) | AHRTP53NPC1ALDH1A1HPGD | |
| SCHEMBL10703217 | 0.77 | DPP4 (0.52) | AHRTP53NPC1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-RE34722-E | Antiulcer agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |
| US-4578381-A | ANTIULCER AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-03-25 | — | — | US | disclosed |