Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL37468 | 0.79 | — | — | |
| SCHEMBL21501652 | 0.77 | — | — | |
| Acetic Acid SCHEMBL28173566 | 0.77 | ALDH1A1 (0.45) | TSHRALDH1A1SMN1; SMN2MAPTFAAH | |
| Hydrochloric Acid SCHEMBL2754173 | 0.77 | — | — | |
| SCHEMBL723920 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10494678 | 0.75 | — | — | |
| Guanidine SCHEMBL28281782 | 0.75 | TSHR (0.52) | TSHRALDH1A1SMN1; SMN2MAPTFAAH | |
| SCHEMBL729436 | 0.74 | — | — | |
| SCHEMBL13071595 | 0.72 | — | — | |
| Bicarbonate SCHEMBL28513279 | 0.71 | ALDH1A1 (0.48) | TSHRALDH1A1SMN1; SMN2MAPTFAAH |
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-2831072-B1 | NOVEL SPHINGOSINE 1-PHOSPHATE RECEPTOR ANTAGONISTS | ARROYO BIOSCIENCES L L C (US) | 2017-04-19 | — | — | EP | disclosed |