Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | NCF1 | P14598 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL351719 | 0.98 | HRH3 (0.64) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL6102208 | 0.95 | HRH3 (0.57) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL948372 | 0.93 | SIGMAR1 (0.68) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL18065638 | 0.93 | SIGMAR1 (0.68) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL896379 | 0.93 | SIGMAR1 (0.68) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL6384833 | 0.91 | HRH3 (0.61) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL6200777 | 0.91 | SIGMAR1 (0.71) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL102338 | 0.91 | SIGMAR1 (0.71) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| Water SCHEMBL1702298 | 0.89 | SIGMAR1 (0.68) | HRH3SIGMAR1ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6261135 | 0.89 | SIGMAR1 (0.68) | HRH3SIGMAR1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939954-A1 | METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE | Otsuka Pharmaceutical Co., Ltd. (JP) | 2022-01-19 | — | — | EP | disclosed |