Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL27510433 | 0.85 | HTT (0.57) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL111537 | 0.84 | TSHR (0.73) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9681150 | 0.84 | LMNA (0.60) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6574005 | 0.84 | HTT (0.58) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL29390085 | 0.84 | TSHR (0.73) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL56823 | 0.84 | HTT (0.58) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL14242999 | 0.83 | CYP19A1 (0.58) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6289865 | 0.82 | HTT (0.57) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9760920 | 0.82 | LMNA (0.55) | HTTPKMALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9509694 | 0.82 | HTT (0.68) | HTTPKMALDH1A1KMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2821402-B1 | NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC (JP) | 2019-08-21 | — | — | EP | disclosed |