Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6243427 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL13159635 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL28228807 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL6228918 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL5339525 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL30501402 | 0.76 | TSHR (0.47) | ALDH1A1CYP2C19KMT2AMEN1L3MBTL1 | |
| SCHEMBL13624254 | 0.76 | KCNQ2 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL11666671 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL11666677 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL8342797 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A |
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-3738955-A1 | NOVEL 5-HYDROXYTRYPTAMINE RECEPTOR 7 ACTIVITY MODULATORS AND THEIR METHOD OF USE | Temple University Of The Commonwealth System Of Higher Education (US) | 2020-11-18 | — | — | EP | disclosed |