Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL14720551 | 0.98 | ALDH1A1 (0.56) | ALDH1A1POLBSMN1; SMN2MAPK1RAB9A | |
| SCHEMBL14721158 | 0.85 | ALDH1A1 (0.43) | ALDH1A1POLBSMN1; SMN2MAPK1RAB9A | |
| SCHEMBL14720485 | 0.81 | ALDH1A1 (0.54) | ALDH1A1POLBSMN1; SMN2MAPK1RAB9A | |
| SCHEMBL10394369 | 0.81 | CA12 (0.51) | ALDH1A1SMN1; SMN2RAB9ANPC1HTT | |
| SCHEMBL14721409 | 0.80 | MAPK1 (0.41) | ALDH1A1POLBMAPK1RAB9ANPC1 | |
| SCHEMBL14720729 | 0.80 | SRD5A2 (0.47) | ALDH1A1SMN1; SMN2RAB9ANPC1SRD5A2 | |
| SCHEMBL14720748 | 0.79 | CA12 (0.44) | ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1 | |
| SCHEMBL14720720 | 0.78 | SRD5A2 (0.58) | ALDH1A1SRD5A2HTTHPGDMAPT | |
| SCHEMBL14720484 | 0.78 | ALDH1A1 (0.58) | ALDH1A1POLBSMN1; SMN2MAPK1RAB9A | |
| SCHEMBL6135228 | 0.78 | ALDH1A1 (0.67) | ALDH1A1POLBSMN1; SMN2MAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |