Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5707829 | 0.83 | ADRB1 (0.56) | ALDH1A1MAPTADRB1NPC1HTR6 | |
| SCHEMBL13116713 | 0.79 | MAPK1 (0.49) | ALDH1A1MAPTKMT2AHTR6TSHR | |
| SCHEMBL11263205 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPTGAAALOX15TDP1 | |
| SCHEMBL3407551 | 0.78 | HTR6 (0.66) | ALDH1A1MAPTTDP1POLBADRB1 | |
| SCHEMBL109882 | 0.76 | ADRB1 (0.55) | ALDH1A1ALOX15ADRB1NPC1HTR6 | |
| SCHEMBL1450313 | 0.74 | NPC1 (0.70) | ALDH1A1MAPTADRB1NPC1HTR6 | |
| SCHEMBL31349267 | 0.74 | ADRB1 (0.56) | ALDH1A1MAPTADRB1NPC1HTR6 | |
| SCHEMBL4458672 | 0.74 | ADRB1 (0.56) | ALDH1A1MAPTADRB1NPC1HTR6 | |
| SCHEMBL28888942 | 0.73 | ADRB1 (0.51) | ALDH1A1MAPTADRB1NPC1HTR6 | |
| Hydrochloric Acid SCHEMBL2322522 | 0.73 | ADRB1 (0.54) | ALDH1A1MAPTADRB1HTR6TSHR |
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-4328223-A | 2-Amino-3a,4,5,6-tetrahydro-perimidine derivatives and their medicinal use in combatting circulatory diseases | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-04 | — | — | US | disclosed |