Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CTH | P32929 | 1/20 | 0.32 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720686 | 0.81 | GRM5 (0.47) | GRM5TSHRPOLBLMNASMN1; SMN2 | |
| SCHEMBL14720788 | 0.77 | SRD5A2 (0.48) | SRD5A2HPGDSRD5A1 | |
| SCHEMBL14720636 | 0.75 | CTH (0.33) | KDM4ECTHGRIN2DGRIN3BGRIN1 | |
| SCHEMBL23528946 | 0.74 | FAAH (0.36) | ALDH1A1GRM5SRD5A2CTHGRIN2D | |
| SCHEMBL14721331 | 0.73 | HRH3 (0.45) | — | |
| SCHEMBL1011754 | 0.73 | FAAH (0.53) | — | |
| SCHEMBL4714589 | 0.71 | HTT (0.40) | ALDH1A1KDM4EPOLBSMN1; SMN2SRD5A2 | |
| SCHEMBL13952771 | 0.70 | GRM5 (0.41) | GRM5TSHRLMNARAB9A | |
| SCHEMBL20788470 | 0.70 | ALDH1A1 (0.56) | ALDH1A1KDM4EAKR1C3TSHRPOLB | |
| SCHEMBL3208482 | 0.70 | AKR1C3 (0.68) | ALDH1A1KDM4EAKR1C3LMNASMN1; 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 1 patent. 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 |