Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.40 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.40 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14721400 | 0.85 | SRD5A2 (0.48) | ALDH1A1KDM4ESRD5A2SRD5A1L3MBTL3 | |
| SCHEMBL14731083 | 0.82 | SRD5A2 (0.46) | ALDH1A1KDM4ESRD5A2SMN1; SMN2NPC1 | |
| SCHEMBL14720637 | 0.81 | L3MBTL3 (0.62) | ALDH1A1KDM4EL3MBTL3L3MBTL1KMT2A | |
| SCHEMBL14720677 | 0.81 | SRD5A2 (0.50) | ALDH1A1KDM4ESRD5A2NPC1L3MBTL1 | |
| SCHEMBL14721067 | 0.80 | SRD5A2 (0.42) | ALDH1A1KDM4ESRD5A2HPGDSRD5A1 | |
| SCHEMBL14720430 | 0.78 | SRD5A2 (0.43) | ALDH1A1KDM4ESRD5A2SRD5A1TSHR | |
| SCHEMBL14720838 | 0.78 | SRD5A2 (0.44) | ALDH1A1KDM4ESRD5A2HPGDSRD5A1 | |
| SCHEMBL14720882 | 0.78 | SRD5A2 (0.43) | ALDH1A1KDM4ESRD5A2SMN1; SMN2NPC1 | |
| SCHEMBL14720575 | 0.77 | L3MBTL3 (0.51) | ALDH1A1KDM4EL3MBTL3L3MBTL1KMT2A | |
| SCHEMBL14720720 | 0.77 | SRD5A2 (0.58) | ALDH1A1SRD5A2HPGDSRD5A1L3MBTL3 |
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 | claimed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |