Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22325264 | 0.75 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2HPGDPOLB | |
| SCHEMBL4435549 | 0.72 | EDNRB (0.44) | ALDH1A1LMNASMN1; SMN2SRCHTR2A | |
| SCHEMBL9045454 | 0.70 | ALDH1A1 (0.60) | ALDH1A1LMNASMN1; SMN2HTR2ASLC6A4 | |
| SCHEMBL7009624 | 0.68 | EDNRB (0.41) | ALDH1A1LMNASMN1; SMN2SRCHTR2A | |
| SCHEMBL4434185 | 0.67 | DHPS (0.42) | ALDH1A1LMNASMN1; SMN2SRCHTR2A | |
| SCHEMBL196970 | 0.66 | CA12 (0.62) | ALDH1A1HTR2ASLC6A4KCNH2HPGD | |
| SCHEMBL29586665 | 0.66 | CA12 (0.62) | ALDH1A1HTR2ASLC6A4KCNH2HPGD | |
| SCHEMBL14127254 | 0.66 | CA12 (0.62) | ALDH1A1HTR2ASLC6A4KCNH2HPGD | |
| SCHEMBL22325322 | 0.65 | ALDH1A1 (0.39) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4427054 | 0.65 | EDNRB (0.43) | ALDH1A1LMNASMN1; SMN2SRCHTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0633259-B1 | Sulfonylaminopyrimidines, their preparation and their use as medicine | HOFFMANN LA ROCHE (CH) | 1999-01-13 | — | — | EP | disclosed |
| US-5541186-A | ENDOTHELIN RECEPTOR INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0633259-A1 | Sulfonylaminopyrimidines, their preparation and their use as medicine | F. HOFFMANN-LA ROCHE AG (CH) | 1995-01-11 | — | — | EP | disclosed |