Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.85 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.85 |
| ▸ | HTR2C | P28335 | 1/20 | 0.72 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2447403 | 0.92 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2HTR2CTDP1TSHR | |
| SCHEMBL13745650 | 0.92 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HTR2CEPHX2TDP1 | |
| SCHEMBL15453396 | 0.84 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2TDP1TSHRGAA | |
| SCHEMBL22163701 | 0.83 | HTR2C (0.67) | ALDH1A1SMN1; SMN2HTR2C | |
| SCHEMBL29668383 | 0.83 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2HTR2CEPHX2TDP1 | |
| SCHEMBL2450751 | 0.82 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2HTR2C | |
| SCHEMBL31469959 | 0.82 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2HTR2C | |
| SCHEMBL27309933 | 0.82 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2HTR2C | |
| SCHEMBL22163700 | 0.82 | HTR2C (0.65) | ALDH1A1SMN1; SMN2HTR2CGAANPC1 | |
| Hydrochloric Acid SCHEMBL655020 | 0.81 | HTR2C (0.64) | ALDH1A1SMN1; SMN2HTR2CEPHX2KMT2A |
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-3110794-A1 | HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015130905-A1 | HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-09-03 | — | — | WO | disclosed |