Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | PKLR | P30613 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7012894 | 0.91 | SMN1; SMN2 (0.48) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL7012827 | 0.83 | TSHR (0.46) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL7009974 | 0.82 | PKM (0.45) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL7007968 | 0.81 | TDP1 (0.43) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL7010653 | 0.77 | PKM (0.45) | SMN1; SMN2TSHRALDH1A1PKMPKLR | |
| SCHEMBL9240302 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL9238687 | 0.76 | NPC1 (0.57) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL7010994 | 0.74 | ALDH1A1 (0.41) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 | |
| SCHEMBL7016172 | 0.73 | HDAC3 (0.44) | SMN1; SMN2MAPTLMNATDP1FSCN1 | |
| SCHEMBL7018272 | 0.71 | SMN1; SMN2 (0.44) | SMN1; SMN2TSHRKMT2AALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |