Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16695128 | 1.00 | ALDH1A1 (0.49) | ALDH1A1TSHRNOTUMSMN1; SMN2PKM | |
| SCHEMBL1978050 | 0.90 | TSHR (0.53) | ALDH1A1TSHRHRH3LMNAKDM4E | |
| SCHEMBL13905847 | 0.86 | TSHR (0.43) | ALDH1A1TSHRNOTUMSMN1; SMN2PKM | |
| SCHEMBL22539760 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NOTUMSMN1; SMN2KDM2BHTR2A | |
| SCHEMBL16695584 | 0.82 | ALDH1A1 (0.58) | ALDH1A1NOTUMSMN1; SMN2KDM2BHTR2A | |
| SCHEMBL19617393 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRNOTUMSMN1; SMN2KDM4E | |
| SCHEMBL22539789 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRNOTUMSMN1; SMN2KDM4E | |
| SCHEMBL28453533 | 0.79 | TSHR (0.46) | TSHRHRH3LMNAKDM4EKDM2B | |
| SCHEMBL28442543 | 0.79 | TSHR (0.46) | TSHRHRH3LMNAKDM4EKDM2B | |
| SCHEMBL16695192 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2PKMHRH3LMNA |
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-3489231-A1 | PIPERAZINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2019-05-29 | — | — | EP | disclosed |