Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5514057 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL5514059 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL11868154 | 0.83 | ALDH1A1 (0.66) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL5516310 | 0.82 | ALDH1A1 (0.55) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL14155278 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL7500201 | 0.82 | SLC6A4 (0.58) | CYP3A4ADRB2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5513145 | 0.81 | ALDH1A1 (0.57) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL5524768 | 0.81 | ALDH1A1 (0.57) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL29847902 | 0.81 | ALDH1A1 (0.57) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL2335627 | 0.81 | ALDH1A1 (0.57) | ALDH1A1GLATP53CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7265145-B2 | Substituted piperidines and pyrrolidines as calcium sensing receptor modulators and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-04 | — | — | US | disclosed |