Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682083 | 0.82 | KCNN4 (0.43) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL31376077 | 0.81 | SIGMAR1 (0.42) | KCNN4MAPK1SIGMAR1TP53SMN1; SMN2 | |
| SCHEMBL8006703 | 0.80 | KCNN4 (0.41) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL950778 | 0.79 | KIF11 (0.54) | KCNN4TAAR1KIF11SIGMAR1SMN1; SMN2 | |
| SCHEMBL5962549 | 0.79 | ESR1 (0.60) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL1538276 | 0.79 | KCNN4 (0.44) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL1059924 | 0.79 | TAAR1 (0.46) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL9447623 | 0.79 | KCNN4 (0.44) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL9490072 | 0.78 | TAAR1 (0.41) | KCNN4TAAR1MAPK1KIF11ESR1 | |
| SCHEMBL15302463 | 0.78 | KCNN4 (0.40) | KCNN4TAAR1MAPK1KIF11ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011143444-A2 | DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2002022622-A2 | SYNTHESIS OF 2-HYDROXYMETHYLGLUTAMIC ACID AND CONGENERS THEREOF | GEORGETOWN UNIVERSITY (US) | 2002-03-21 | — | — | WO | disclosed |